Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.44 |
| ▸ | RHEB | Q15382 | 2/20 | 0.43 |
| ▸ | PRKCI | P41743 | 4/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.37 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16938045 | 0.91 | ROCK1 (0.44) | ROCK1NUDT1RHEBPRKCIAXL | |
| SCHEMBL6842891 | 0.88 | CDC7 (0.38) | ROCK1NUDT1RHEBCSNK1A1CDK9 | |
| SCHEMBL12918439 | 0.81 | ROCK1 (0.49) | ROCK1NUDT1RHEBPRKCIAXL | |
| SCHEMBL16938044 | 0.79 | CDC7 (0.38) | ROCK1RHEBPRKCICSNK1A1CDK9 | |
| SCHEMBL6842852 | 0.78 | CDC7 (0.43) | ROCK1CSNK1A1CDK9CDC7CCNT1 | |
| SCHEMBL12947667 | 0.78 | ROCK1 (0.37) | ROCK1NUDT1RHEB | |
| SCHEMBL6842885 | 0.78 | CDC7 (0.42) | ROCK1CSNK1A1CDK9CDC7CCNT1 | |
| SCHEMBL955449 | 0.77 | GSK3B (0.36) | CSNK1A1CDK9CDC7CCNT1CSNK2A2 | |
| SCHEMBL10125134 | 0.76 | NUDT1 (0.62) | ROCK1NUDT1RHEBPRKCIAXL | |
| SCHEMBL954402 | 0.74 | CDC7 (0.43) | CSNK1A1CDK9CDC7CCNT1CSNK2A2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9090601-B2 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-9090601-B2 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-20110003807-A1 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003807-A1 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | 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 (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-20110003807-A1 | Thiazole derivatives | MTOR, RICTOR, AKT2 | ROCK1 816/4885NUDT1 1548/4885RHEB 144/4885 |
| US-20110003806-A1 | Heteroaryls and uses thereof | RICTOR, MTOR, AKT1S1 | ROCK1 150/4885NUDT1 2464/4885RHEB 42/4885 |
“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.