Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.51 |
| ▸ | PTPRC | P08575 | 2/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | PTPRB | P23467 | 2/20 | 0.40 |
| ▸ | PTPRE | P23469 | 2/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | TAF1 | P21675 | 1/20 | 0.37 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.37 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25364866 | 0.83 | PIM3 (0.41) | KEAP1PTPRCPTPN2PTPN1PTPRB | |
| SCHEMBL31122414 | 0.83 | PIM3 (0.41) | KEAP1PTPRCPTPN2PTPN1PTPRB | |
| SCHEMBL12377148 | 0.76 | KEAP1 (0.58) | KEAP1PTPRCPTPN2PTPN1PTPRB | |
| SCHEMBL22076261 | 0.73 | KEAP1 (0.58) | KEAP1PTPRCPTPN2PTPN1PTPRB | |
| SCHEMBL23538104 | 0.73 | KEAP1 (0.58) | KEAP1PTPRCPTPN2PTPN1PTPRB | |
| SCHEMBL2285281 | 0.73 | KEAP1 (0.58) | KEAP1PTPRCPTPN2PTPN1PTPRB | |
| SCHEMBL28878115 | 0.72 | KEAP1 (0.53) | KEAP1PTPRCPTPN2PTPN1PTPRB | |
| SCHEMBL29492540 | 0.71 | BRD4 (0.40) | KEAP1BRD4TAF1BRPF1CREBBP | |
| SCHEMBL30456277 | 0.71 | KEAP1 (0.51) | KEAP1PTPRCPTPN2PTPN1PTPRB | |
| SCHEMBL336234 | 0.68 | KEAP1 (1.00) | KEAP1PDPK1ALDH1A1KDM4EHPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250145632-A1 | Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine | INSILICO MEDICINE IP LIMITED (HK) | 2025-05-08 | — | — | US | disclosed |
| EP-4455132-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | Insilico Medicine IP Limited (HK) | 2024-10-30 | — | — | EP | disclosed |
| CN-118647607-A | Pyrimidine heterocyclic compounds, process for preparing the same and pharmaceutical use thereof | 英矽智能科技(上海)有限公司 | 2024-09-13 | — | — | CN | disclosed |
| WO-2023116761-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 英矽智能科技知识产权有限公司 | 2023-06-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20250145632-A1 | Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine | DPYD, TYMP, NUDT1 | KEAP1 1708/4885PTPRC 1906/4885PTPN2 1279/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.