Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | USP1 | O94782 | 7/20 | 0.42 |
| ▸ | WDR48 | Q8TAF3 | 7/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL961789 | 0.88 | PIP4K2C (0.43) | PIP4K2CCYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL12914219 | 0.87 | PIP4K2C (0.47) | PIP4K2CCYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL786723 | 0.86 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL11917652 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL958865 | 0.84 | CYP1A2 (0.44) | PIP4K2CCYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL961801 | 0.82 | PIP4K2C (0.43) | PIP4K2CCYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL957594 | 0.82 | PIP4K2C (0.42) | PIP4K2CCYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL958460 | 0.81 | PIP4K2C (0.44) | PIP4K2CCYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL959116 | 0.81 | GSK3A (0.57) | CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL962173 | 0.81 | PIP4K2C (0.41) | PIP4K2CCYP1A2CYP2C19CYP3A4CYP2D6 |
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-20110224197-A1 | PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-15 | — | — | US | disclosed |
| US-20110224197-A1 | PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-15 | — | — | US | disclosed |
| WO-2009145814-A9 | PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-14 | — | — | WO | disclosed |
| WO-2009145814-A2 | PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-03 | — | — | WO | 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-20110224197-A1 | PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES | GSK3B, CDK3, GSK3A | PIP4K2C 854/4885CYP1A2 4411/4885CYP2C19 4462/4885 |
“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.