Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 5/20 | 0.57 |
| ▸ | AURKA | O14965 | 5/20 | 0.57 |
| ▸ | EGFR | P00533 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.48 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL12430887 | 0.91 | AURKA (0.68) | AURKBAURKAEGFRSMN1; SMN2ALDH1A1 | |
| SCHEMBL12510643 | 0.88 | AURKB (0.58) | AURKBAURKAEGFRSMN1; SMN2ALDH1A1 | |
| SCHEMBL12430901 | 0.87 | AURKA (0.57) | AURKBAURKAEGFRSMN1; SMN2ALDH1A1 | |
| SCHEMBL12430818 | 0.84 | AURKB (0.80) | AURKBAURKAGSK3B | |
| SCHEMBL12430896 | 0.81 | AURKB (0.69) | AURKBAURKAEGFRALDH1A1PIK3C3 | |
| SCHEMBL12430898 | 0.80 | AURKB (0.54) | AURKBAURKAEGFRADORA3TNIK | |
| SCHEMBL12430913 | 0.80 | AURKB (0.58) | AURKBAURKAEGFRPIK3C3GSK3B | |
| SCHEMBL3965081 | 0.80 | AURKA (0.51) | AURKBAURKAEGFRSMN1; SMN2ALDH1A1 | |
| SCHEMBL3963992 | 0.80 | AURKA (0.51) | AURKBAURKAEGFRTNIKSLC2A1 | |
| SCHEMBL3967694 | 0.78 | AURKA (0.51) | AURKBAURKAEGFRSMN1; SMN2ALDH1A1 |
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 | AURKB 7/4885AURKA 3/4885EGFR 480/4885 |
“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.