Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 14/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | PRKDC | P78527 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL560151 | 0.78 | KMT2A (0.56) | ATRKDM4EALDH1A1TP53POLB | |
| SCHEMBL2509332 | 0.76 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL560241 | 0.75 | ATR (0.68) | ATRKDM4EALDH1A1TP53POLB | |
| SCHEMBL10135119 | 0.74 | ATR (0.64) | ATRKDM4EALDH1A1CDK1CDK2 | |
| SCHEMBL13354021 | 0.74 | ATR (0.67) | ATRKDM4EALDH1A1TP53POLB | |
| SCHEMBL559844 | 0.73 | ATR (0.56) | ATRPRKDCATM | |
| SCHEMBL615478 | 0.73 | CKS1B (0.52) | ATRPRKDCATM | |
| SCHEMBL615477 | 0.73 | CKS1B (0.52) | ATRPRKDCATM | |
| SCHEMBL13138778 | 0.72 | ATR (0.78) | ATRKDM4EALDH1A1PRKDCATM | |
| SCHEMBL13138782 | 0.72 | ATR (0.77) | ATRPRKDCATM |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8962631-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-24 | — | — | US | disclosed |
| US-8962631-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-24 | — | — | US | disclosed |
| US-8962631-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-24 | — | — | US | disclosed |
| EP-2569289-A1 | PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| US-20120035407-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-09 | — | — | US | disclosed |
| US-20120035407-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-09 | — | — | US | disclosed |
| US-20120035407-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-09 | — | — | US | disclosed |
| WO-2011143419-A1 | PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | 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-20120035407-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | ATR 1/4885KDM4E 2074/4885ALDH1A1 4062/4885 |
“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.