Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.39 |
| ▸ | USP1 | O94782 | 5/20 | 0.39 |
| ▸ | WDR48 | Q8TAF3 | 5/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL802161 | 0.87 | USP1 (0.41) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL801901 | 0.85 | USP1 (0.43) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL801811 | 0.82 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL13962987 | 0.81 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL786816 | 0.80 | USP1 (0.43) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL786723 | 0.79 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL805549 | 0.79 | USP1 (0.42) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL786510 | 0.79 | USP1 (0.46) | CYP1A2CYP3A4CYP2D6TSHRALDH1A1 | |
| SCHEMBL786438 | 0.79 | USP1 (0.47) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL802072 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6TSHRCLK4 |
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-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-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-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 | CYP1A2 1818/4885CYP3A4 1976/4885CYP2D6 3096/4885 |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, GSK3A, CDK19 | CYP1A2 3042/4885CYP3A4 2929/4885CYP2D6 4165/4885 |
| US-20070270444-A1 | Pyrazole compounds useful as protein kinase inhibitors | GSK3B, CDK3, GSK3A | CYP1A2 1818/4885CYP3A4 1976/4885CYP2D6 3096/4885 |
“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.