Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 2/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 6/20 | 0.38 |
| ▸ | PRKDC | P78527 | 5/20 | 0.38 |
| ▸ | ATM | Q13315 | 4/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3094683 | 0.76 | CDK5 (0.52) | CDK5CDK5R1KCNH2PTGS2HDAC6 | |
| SCHEMBL23093390 | 0.76 | CDK5 (0.49) | CDK5CDK5R1KCNH2PTGS2HDAC6 | |
| SCHEMBL2634150 | 0.76 | CDK5 (0.49) | CDK5CDK5R1KCNH2PTGS2HDAC6 | |
| SCHEMBL21044477 | 0.76 | CYP11B1 (0.42) | PIM3CYP11B1CYP11B2 | |
| SCHEMBL10309179 | 0.75 | UBE2N (0.53) | CDK5CDK5R1KCNH2PTGS2HDAC6 | |
| SCHEMBL23093490 | 0.75 | GRM5 (0.42) | CDK5CDK5R1PTGS2HDAC6ATR | |
| SCHEMBL28178965 | 0.73 | PTGS2 (0.56) | CDK5CDK5R1KCNH2PTGS2 | |
| SCHEMBL28178962 | 0.72 | KCNH2 (0.68) | CDK5CDK5R1KCNH2PTGS2 | |
| SCHEMBL10119823 | 0.71 | HSD11B1 (0.48) | CDK5CDK5R1PTGS2PIM1PIM3 | |
| SCHEMBL15866372 | 0.70 | ATR (0.39) | CDK5CDK5R1ATRPRKDCATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9334244-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-05-10 | — | — | US | disclosed |
| US-9334244-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-05-10 | — | — | US | disclosed |
| US-20120122884-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-17 | — | — | 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 (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-20120122884-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | CDK5 235/4885CDK5R1 317/4885KCNH2 2866/4885 |
“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.