Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | ATR | Q13535 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 4/20 | 0.47 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.47 |
| ▸ | CDK2 | P24941 | 3/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL615489 | 0.93 | ATR (0.56) | GRM5NPC1RAB9AATRTSHR | |
| SCHEMBL615628 | 0.90 | GRM5 (0.52) | GRM5NPC1RAB9AATRTSHR | |
| SCHEMBL616029 | 0.89 | GRM5 (0.51) | GRM5NPC1RAB9AATRTSHR | |
| SCHEMBL617575 | 0.88 | GRM5 (0.61) | GRM5NPC1RAB9AATRTSHR | |
| SCHEMBL614918 | 0.88 | GRM5 (0.61) | GRM5ATRGSK3BCCNE2CCNE1 | |
| SCHEMBL617460 | 0.86 | GRM5 (0.56) | GRM5NPC1RAB9AATRTSHR | |
| SCHEMBL617242 | 0.86 | LMNA (0.57) | GRM5NPC1RAB9AATRTSHR | |
| SCHEMBL617037 | 0.86 | GRM5 (0.53) | GRM5ATRSMN1; SMN2 | |
| SCHEMBL617428 | 0.86 | GRM5 (0.58) | GRM5NPC1RAB9AATRGSK3B | |
| SCHEMBL616888 | 0.85 | GRM5 (0.54) | GRM5NPC1RAB9AATR |
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 5 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-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 |
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 3215/4885NPC1 4100/4885RAB9A 2267/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | GRM5 3215/4885NPC1 4100/4885RAB9A 2267/4885 |
“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.