# Chemistry42 and Pharma.AI (Insilico)

Source: https://onco.cc/technologies/chemistry42/  
OnCo record `chemistry42` (Technology). Data CC BY-NC 4.0, attribute "Data from OnCo (onco.cc)"; commercial use needs a licence.

## TL;DR

Generative chemistry platform behind the first AI-discovered drug to reach phase 2, plus oncology candidates.

## Summary

Chemistry42 and the wider Pharma.AI suite from Insilico Medicine are generative models for target discovery, molecule generation and trial outcome prediction, used to propose new drug targets and design small molecules against them. The platform's clinical validation comes from rentosertib, a TNIK inhibitor for idiopathic pulmonary fibrosis (IPF) that reported phase 2a results in 2025 and is described as the first AI-discovered drug to reach phase 2. Oncology programmes include ISM3091, a USP1 inhibitor licensed to Exelixis, and ISM5411. The oncology assets are early, so whether the platform's speed translates into approved cancer drugs remains open, as does how much of each programme is attributable to the AI rather than conventional chemistry. For a newcomer: Insilico's software proposes both the target and the molecule, and one of its drugs has reached mid-stage trials.

## Fields

- Kind: Technology
- Status: emerging
- Last checked: 2026-09-08
- Tags: ai; chemistry
- Principle: Generative models for target discovery, molecule generation and trial outcome prediction.
- Since: 2020
- Strengths: Clinical-stage validation of the platform
- Limitations: Oncology assets early

## Sources

- Insilico Medicine: https://insilico.com

## Connected records

- fronts: [Drug Discovery Platforms](https://onco.cc/fronts/drug-discovery/)
- technologies: [AI-driven drug & target discovery](https://onco.cc/technologies/ai-drug-design/)
- companies: [Insilico Medicine](https://onco.cc/companies/insilico-medicine/)
- roadmaps: [AI in oncology roadmap: pattern readers → foundation models → agents in the workflow](https://onco.cc/roadmaps/ai-oncology-roadmap/), [Drug discovery roadmap: screening in mice → maps of dependency → designing in silico](https://onco.cc/roadmaps/drug-discovery-roadmap/)

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