Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 7/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | PIK3C3 | Q8NEB9 | 3/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | STK4 | Q13043 | 1/20 | 0.40 |
| ▸ | STK3 | Q13188 | 1/20 | 0.40 |
| ▸ | BMPR2 | Q13873 | 1/20 | 0.40 |
| ▸ | STK26 | Q9P289 | 1/20 | 0.40 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | ITK | Q08881 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12431069 | 0.81 | AURKA (0.51) | AURKAGSK3BSRCNTRK1GSK3A | |
| SCHEMBL5068935 | 0.80 | PIK3C3 (0.45) | IGF1RAURKACYP2D6CYP3A4GSK3B | |
| SCHEMBL5070906 | 0.80 | IGF1R (0.38) | IGF1RAURKACYP2D6CYP3A4GSK3B | |
| SCHEMBL13023974 | 0.74 | GAA (0.33) | — | |
| SCHEMBL24742377 | 0.73 | ITK (0.50) | IGF1RAURKACYP2D6CYP3A4GSK3B | |
| SCHEMBL13054775 | 0.72 | AURKA (0.42) | AURKAGSK3BSRCPIK3C3EGFR | |
| SCHEMBL12431057 | 0.72 | ITK (0.41) | IGF1RAURKACYP2D6CYP3A4GSK3B | |
| SCHEMBL22917367 | 0.70 | IGF1R (0.60) | IGF1RAURKAGSK3BPIK3C3AKT1 | |
| SCHEMBL22917452 | 0.68 | IGF1R (0.56) | IGF1RAURKAGSK3BPIK3C3AKT1 | |
| SCHEMBL12430664 | 0.68 | AURKA (0.74) | AURKAGSK3BSRCNTRK1GSK3A |
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 | IGF1R 467/4885AURKA 3/4885CYP2D6 3143/4885 |
“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.