Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 3/20 | 0.59 |
| ▸ | SRC | P12931 | 3/20 | 0.58 |
| ▸ | GSK3B | P49841 | 3/20 | 0.58 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.58 |
| ▸ | CDK2 | P24941 | 2/20 | 0.58 |
| ▸ | ULK1 | O75385 | 4/20 | 0.57 |
| ▸ | PAK4 | O96013 | 2/20 | 0.57 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.57 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.55 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.55 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.51 |
| ▸ | ULK2 | Q8IYT8 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.50 |
| ▸ | IGF1R | P08069 | 2/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7106702 | 0.87 | NTRK1 (0.61) | NTRK1SRCGSK3BCCNA2CDK2 | |
| SCHEMBL13054795 | 0.86 | NTRK1 (0.49) | NTRK1SRCGSK3BCCNA2CDK2 | |
| SCHEMBL12430684 | 0.84 | NTRK1 (0.68) | NTRK1SRCGSK3BCCNA2CDK2 | |
| SCHEMBL12430763 | 0.84 | AURKB (0.69) | NTRK1SRCGSK3BCCNA2CDK2 | |
| SCHEMBL12431107 | 0.83 | NTRK1 (0.52) | NTRK1SRCGSK3BCCNA2CDK2 | |
| SCHEMBL2205478 | 0.81 | CCR4 (0.41) | NTRK1SRCGSK3BCCNA2CDK2 | |
| SCHEMBL29618398 | 0.79 | ULK1 (0.65) | NTRK1SRCGSK3BCCNA2CDK2 | |
| SCHEMBL786513 | 0.79 | ULK1 (0.65) | NTRK1SRCGSK3BCCNA2CDK2 | |
| SCHEMBL31471756 | 0.79 | ULK1 (0.71) | NTRK1SRCGSK3BCCNA2CDK2 | |
| SCHEMBL3998184 | 0.78 | SRC (0.80) | NTRK1SRCGSK3BCCNA2CDK2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7982037-B2 | (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-19 | — | — | US | disclosed |
| US-7982037-B2 | (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-19 | — | — | US | disclosed |
| US-20090312543-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-17 | — | — | US | disclosed |
| US-20090312543-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-17 | — | — | US | disclosed |
| US-7625913-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-01 | — | — | US | disclosed |
| US-7625913-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-01 | — | — | US | disclosed |
| US-7531536-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-12 | — | — | US | disclosed |
| US-7531536-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-12 | — | — | 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-20090312543-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, AURKC, AURKA | NTRK1 2111/4885SRC 298/4885GSK3B 1/4885 |
“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.