Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 11/20 | 0.60 |
| ▸ | ATM | Q13315 | 7/20 | 0.60 |
| ▸ | GSK3B | P49841 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 7/20 | 0.55 |
| ▸ | RAB9A | P51151 | 7/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | PRKDC | P78527 | 4/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL25043002 | 0.86 | ATR (0.49) | ATRATMGSK3BNPC1RAB9A | |
| SCHEMBL13195749 | 0.86 | ATR (0.57) | ATRATMGSK3BNPC1RAB9A | |
| SCHEMBL25042866 | 0.84 | ATR (0.53) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL25042621 | 0.83 | ATR (0.47) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL28402692 | 0.83 | ATR (0.63) | ATRATMGSK3BNPC1RAB9A | |
| SCHEMBL506800 | 0.83 | ATR (0.52) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL10178207 | 0.81 | RAB9A (0.49) | ATRATMGSK3BNPC1RAB9A | |
| SCHEMBL12987509 | 0.80 | ATR (0.68) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL2486197 | 0.80 | ATR (0.66) | ATRATMGSK3BPRKDCJAK2 | |
| SCHEMBL25042592 | 0.79 | ATR (0.48) | ATRATMGSK3BNPC1RAB9A |
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-9630956-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-04-25 | — | — | US | disclosed |
| EP-2694498-B1 | AMINOPYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF TRA KINASE | VERTEX PHARMA (US) | 2016-03-30 | — | — | EP | disclosed |
| US-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-02 | — | — | US | disclosed |
| WO-2011143426-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-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | ATR 1/4885ATM 32/4885GSK3B 216/4885 |
“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.