Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | CDK11B | P21127 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.32 |
| ▸ | MAP3K19 | Q56UN5 | 1/20 | 0.32 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.32 |
| ▸ | CDK11A | Q9UQ88 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL560281 | 0.83 | BRD4 (0.33) | IKBKBCDK11BCDK7CDK13MAP3K19 | |
| SCHEMBL560107 | 0.78 | BRD4 (0.32) | BRD4PDPK1 | |
| SCHEMBL617569 | 0.76 | BRD4 (0.33) | IKBKBBRD4PDPK1 | |
| SCHEMBL13353996 | 0.76 | BRD4 (0.33) | BRD4PDPK1 | |
| SCHEMBL10135070 | 0.73 | BRD4 (0.32) | BRD4PDPK1 | |
| SCHEMBL13354020 | 0.65 | ALDH1A1 (0.35) | BRD4 | |
| SCHEMBL615565 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL559666 | 0.64 | ATR (0.39) | — | |
| SCHEMBL3934694 | 0.62 | ATR (0.38) | — | |
| SCHEMBL560139 | 0.61 | ATR (0.38) | — |
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 4 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 |
| 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 |
| 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 | IKBKB 477/4885CDK11B 375/4885CDK7 221/4885 |
“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.