Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | ACP1 | P24666 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3879138 | 0.93 | CTSK (0.48) | CTSKCYP1A2CYP2C19CTSSCYP3A4 | |
| SCHEMBL3873575 | 0.83 | CTSK (0.51) | CTSKCYP1A2CYP2C19CTSSCYP3A4 | |
| Hydrochloric Acid SCHEMBL3885789 | 0.82 | CTSK (0.50) | CTSKCYP1A2CYP2C19CTSSCYP3A4 | |
| SCHEMBL3873562 | 0.81 | CTSK (0.52) | CTSKCTSSCYP3A4CYP2D6HRH3 | |
| SCHEMBL3875249 | 0.81 | CTSK (0.51) | CTSKCYP1A2CYP2C19CTSSCYP3A4 | |
| Trifluoroacetic Acid SCHEMBL3882810 | 0.75 | CTSK (0.46) | CTSKCYP1A2CYP2C19CTSSCYP3A4 | |
| Trifluoroacetic Acid SCHEMBL27718837 | 0.75 | CTSK (0.46) | CTSKCTSSCYP3A4CYP2D6HRH3 | |
| SCHEMBL4440664 | 0.70 | CTSK (1.00) | CTSKCTSS | |
| SCHEMBL13648779 | 0.67 | HRH3 (0.58) | CYP1A2CYP2C19CYP3A4CYP2D6KDM4E | |
| SCHEMBL13898878 | 0.67 | AKR1C3 (0.50) | HRH3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1928842-B1 | 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | ORGANON NV (NL) | 2009-11-18 | — | — | EP | claimed |
| EP-1928842-A1 | 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. Organon (NL) | 2008-06-11 | — | — | EP | claimed |
| US-7326715-B2 | 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives | N.V. ORGANON (NL) | 2008-02-05 | — | — | US | claimed |
| US-20070111992-A1 | 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives | N.V. ORGANON (NL) | 2007-05-17 | — | — | US | claimed |
| WO-2007039470-A1 | 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2007-04-12 | — | — | WO | claimed |
| EP-1928842-B1 | 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | ORGANON NV (NL) | 2009-11-18 | — | — | EP | disclosed |
| EP-1928842-A1 | 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. Organon (NL) | 2008-06-11 | — | — | EP | disclosed |
| US-7326715-B2 | 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives | N.V. ORGANON (NL) | 2008-02-05 | — | — | US | disclosed |
| US-20070111992-A1 | 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives | N.V. ORGANON (NL) | 2007-05-17 | — | — | US | disclosed |
| WO-2007039470-A1 | 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2007-04-12 | — | — | 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-20070111992-A1 | 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives | CTSK, CTSS, CTSF | CTSK 1/4885CYP1A2 2048/4885CYP2C19 759/4885 |
“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.