Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | USP19 | O94966 | 4/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | CFB | P00751 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14829504 | 1.00 | BACE1 (0.42) | BACE1AKR1C3SCD5CCNCCDK8 | |
| SCHEMBL14829587 | 0.86 | BACE1 (0.53) | BACE1SCD5MAPK1USP19TMEM97 | |
| SCHEMBL14829921 | 0.82 | BACE1 (0.41) | BACE1SCD5CCNCCDK8MAPK1 | |
| SCHEMBL14829180 | 0.82 | BACE1 (0.41) | BACE1SCD5CCNCCDK8MAPK1 | |
| SCHEMBL12478712 | 0.80 | AKR1C3 (0.45) | BACE1AKR1C3PHGDH | |
| SCHEMBL21224528 | 0.80 | USP2 (0.41) | BACE1AKR1C3CCNCCDK8TMEM97 | |
| SCHEMBL14840123 | 0.79 | ALDH1A1 (0.50) | CCNCCDK8MAPK1CFB | |
| SCHEMBL14829249 | 0.79 | KMT2A (0.40) | BACE1SCD5CCNCCDK8MAPK1 | |
| SCHEMBL14829248 | 0.79 | KMT2A (0.40) | BACE1SCD5CCNCCDK8MAPK1 | |
| SCHEMBL7599925 | 0.78 | CCNC (0.40) | BACE1SCD5CCNCCDK8MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2751088-B1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2016-04-13 | — | — | EP | disclosed |
| EP-2751088-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2014-07-09 | — | — | EP | disclosed |
| US-8765751-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-01 | — | — | US | disclosed |
| US-20130089624-A1 | Compounds Useful as Inhibitors of ATR Kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-11 | — | — | US | disclosed |
| WO-2013049719-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-04 | — | — | 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-20130089624-A1 | Compounds Useful as Inhibitors of ATR Kinase | ATR, CHEK1, PLK1 | BACE1 1670/4885AKR1C3 2713/4885SCD5 3949/4885 |
“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.