Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 10/20 | 0.62 |
| ▸ | NOS2 | P35228 | 1/20 | 0.54 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.53 |
| ▸ | ATR | Q13535 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SMO | Q99835 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL616829 | 0.93 | GRM5 (0.55) | GRM5NOS2PTPN11ATRALDH1A1 | |
| SCHEMBL617715 | 0.92 | GRM5 (0.61) | GRM5NOS2PTPN11ATRALDH1A1 | |
| SCHEMBL616485 | 0.91 | HDAC1 (0.54) | GRM5NOS2PTPN11ATR | |
| SCHEMBL616525 | 0.90 | GRM5 (0.52) | GRM5NOS2PTPN11ATRALDH1A1 | |
| SCHEMBL617637 | 0.89 | GRM5 (0.57) | GRM5PTPN11ATR | |
| SCHEMBL615928 | 0.88 | GRM5 (0.64) | GRM5PTPN11ATRALDH1A1HSD17B10 | |
| SCHEMBL615406 | 0.87 | GRM5 (0.57) | GRM5PTPN11ATRALDH1A1MEN1 | |
| SCHEMBL618370 | 0.86 | GRM5 (0.58) | GRM5PTPN11ATRALDH1A1HSD17B10 | |
| SCHEMBL10255558 | 0.85 | GRM5 (0.60) | GRM5PTPN11ATRALDH1A1 | |
| SCHEMBL618071 | 0.85 | GRM5 (0.60) | GRM5PTPN11ATRALDH1A1KDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-04-24 | — | — | US | disclosed |
| US-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| EP-2370424-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010054398-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-14 | — | — | 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 (2 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-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | GRM5 3215/4885NOS2 2654/4885PTPN11 1523/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | GRM5 3215/4885NOS2 2654/4885PTPN11 1523/4885 |
“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.