Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 7/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | AURKC | Q9UQB9 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12430993 | 0.78 | AURKB (0.69) | AURKAAURKBSRCGSK3BAURKC | |
| SCHEMBL13054789 | 0.77 | AURKA (0.39) | AURKAAURKBKMT2AEGFRALDH1A1 | |
| SCHEMBL12431032 | 0.76 | AURKA (0.58) | AURKAAURKBKMT2ASMN1; SMN2POLB | |
| SCHEMBL3961728 | 0.73 | AURKA (0.52) | AURKAAURKBEGFRALDH1A1SMN1; SMN2 | |
| SCHEMBL3967694 | 0.72 | AURKA (0.51) | AURKAAURKBEGFRALDH1A1SMN1; SMN2 | |
| SCHEMBL12430887 | 0.72 | AURKA (0.68) | AURKAAURKBKMT2AEGFRALDH1A1 | |
| SCHEMBL3965081 | 0.72 | AURKA (0.51) | AURKAAURKBEGFRALDH1A1SMN1; SMN2 | |
| SCHEMBL12430843 | 0.71 | AURKB (1.00) | AURKAAURKBSRCGSK3BAURKC | |
| SCHEMBL12430905 | 0.71 | AURKB (0.57) | AURKAAURKBEGFRALDH1A1SMN1; SMN2 | |
| SCHEMBL3966678 | 0.71 | AURKA (0.50) | AURKAAURKBEGFRALDH1A1SMN1; SMN2 |
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-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-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 |
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 | AURKA 3/4885AURKB 7/4885KMT2A 850/4885 |
“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.