Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 15/20 | 0.48 |
| ▸ | BRD4 | O60885 | 5/20 | 0.48 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.48 |
| ▸ | PLK3 | Q9H4B4 | 5/20 | 0.46 |
| ▸ | PLK2 | Q9NYY3 | 5/20 | 0.46 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.45 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.44 |
| ▸ | TAF1 | P21675 | 2/20 | 0.43 |
| ▸ | INSR | P06213 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3666649 | 0.96 | PLK1 (0.53) | PLK1BRD4BRDTPLK3PLK2 | |
| SCHEMBL4085018 | 0.89 | PLK1 (0.55) | PLK1BRD4BRDTPLK3PLK2 | |
| SCHEMBL4078256 | 0.88 | PLK1 (0.55) | PLK1BRD4BRDTPLK3PLK2 | |
| SCHEMBL3670645 | 0.86 | PLK1 (0.56) | PLK1BRD4BRDTPLK3PIP4K2A | |
| SCHEMBL3670017 | 0.84 | PLK1 (0.63) | PLK1BRD4BRDTTAF1 | |
| SCHEMBL3666157 | 0.84 | PLK1 (0.53) | PLK1BRD4BRDTPLK3PLK2 | |
| SCHEMBL4079108 | 0.83 | PLK1 (0.60) | PLK1BRD4BRDTPLK3PLK2 | |
| SCHEMBL3668122 | 0.83 | PLK1 (0.46) | PLK1BRD4BRDTPLK3PLK2 | |
| SCHEMBL3667459 | 0.83 | PLK1 (0.55) | PLK1BRD4BRDTPLK3PLK2 | |
| SCHEMBL4080762 | 0.82 | PLK1 (0.61) | PLK1BRD4BRDTPLK3PLK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2139892-A1 | SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-01-06 | — | — | EP | disclosed |
| US-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | disclosed |
| US-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | disclosed |
| US-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | disclosed |
| WO-2008113711-A1 | SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-25 | — | — | WO | disclosed |
| US-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-25 | — | — | US | disclosed |
| US-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-25 | — | — | US | disclosed |
| US-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-25 | — | — | 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-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | PLK1, CCNI, CDK1 | PLK1 1/4885BRD4 123/4885BRDT 42/4885 |
“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.