Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | SRC | P12931 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | USP1 | O94782 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13962754 | 0.91 | EGFR (0.47) | EGFRCYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL802171 | 0.90 | CYP1A2 (0.53) | EGFRCYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL802081 | 0.89 | USP1 (0.51) | EGFRCYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL802082 | 0.89 | EGFR (0.54) | EGFRSRCCNR2 | |
| SCHEMBL12653478 | 0.89 | EGFR (0.48) | EGFRCYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL3806545 | 0.82 | AURKA (0.59) | EGFRCYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL12619104 | 0.82 | CYP1A2 (0.57) | EGFRCYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL801907 | 0.82 | FLT3 (0.45) | EGFRSRCAURKAUSP1WDR48 | |
| SCHEMBL786723 | 0.81 | CYP1A2 (0.45) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1083784 | 0.81 | CYP1A2 (0.54) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8633210-B2 | Triazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-21 | — | — | US | disclosed |
| US-8633210-B2 | Triazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-21 | — | — | US | disclosed |
| US-8524720-B2 | Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-03 | — | — | US | disclosed |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-22 | — | — | US | disclosed |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-22 | — | — | US | disclosed |
| US-7951820-B2 | Triazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-05-31 | — | — | US | disclosed |
| US-20100256170-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-07 | — | — | US | disclosed |
| US-7691853-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-06 | — | — | US | disclosed |
| US-7473691-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-01-06 | — | — | US | disclosed |
| US-7390815-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-06-24 | — | — | US | disclosed |
| US-20070270444-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2007-11-22 | — | — | 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 (3 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-20100256170-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, CDK3, GSK3A | EGFR 305/4885CYP1A2 1818/4885ALDH1A1 4625/4885 |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, GSK3A, CDK19 | EGFR 154/4885CYP1A2 3042/4885ALDH1A1 4768/4885 |
| US-20070270444-A1 | Pyrazole compounds useful as protein kinase inhibitors | GSK3B, CDK3, GSK3A | EGFR 305/4885CYP1A2 1818/4885ALDH1A1 4625/4885 |
“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.