Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CG | P48736 | 4/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 3/20 | 0.34 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL557769 | 0.82 | GRM4 (0.44) | ABL1GRM5DHFRPLAUATR | |
| SCHEMBL2634524 | 0.76 | ATR (0.47) | PIK3CGPIK3CAPIK3CBPIK3CDABL1 | |
| SCHEMBL27361849 | 0.74 | GRM5 (0.36) | PIK3CAGRM5FFAR1PLAUATR | |
| SCHEMBL32661059 | 0.74 | GRM5 (0.36) | PIK3CAGRM5FFAR1PLAUATR | |
| SCHEMBL22467599 | 0.73 | ADK (0.45) | DHFRFYN | |
| SCHEMBL2634220 | 0.73 | PIK3CG (0.39) | PIK3CGPIK3CAPIK3CBPIK3CDABL1 | |
| SCHEMBL718295 | 0.72 | CA12 (0.60) | GRM5CA12CA1CA2CA9 | |
| SCHEMBL2634219 | 0.72 | ATR (0.52) | ATR | |
| SCHEMBL1585912 | 0.70 | PIK3CG (0.51) | PIK3CGPIK3CAPIK3CBPIK3CDABL1 | |
| SCHEMBL1934284 | 0.70 | APP (0.51) | ABL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8969356-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-03-03 | — | — | US | disclosed |
| US-8969356-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-03-03 | — | — | US | disclosed |
| US-8969356-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-03-03 | — | — | US | disclosed |
| EP-2568984-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| US-20120178756-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120178756-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| WO-2011143399-A1 | COMPOUNDS 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-20120178756-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | PIK3CG 160/4885PIK3CA 85/4885PIK3CB 83/4885 |
“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.