Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 11/20 | 0.55 |
| ▸ | BRD4 | O60885 | 4/20 | 0.55 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.55 |
| ▸ | TAF1 | P21675 | 2/20 | 0.54 |
| ▸ | PLK3 | Q9H4B4 | 5/20 | 0.52 |
| ▸ | PLK2 | Q9NYY3 | 5/20 | 0.52 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | CDK4 | P11802 | 7/20 | 0.45 |
| ▸ | CCND3 | P30281 | 7/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4078256 | 0.92 | PLK1 (0.55) | PLK1BRD4BRDTTAF1PLK3 | |
| SCHEMBL4079275 | 0.90 | BRD4 (0.54) | PLK1BRD4BRDTTAF1PLK3 | |
| SCHEMBL4080762 | 0.89 | PLK1 (0.61) | PLK1BRD4BRDTPLK3PLK2 | |
| SCHEMBL3677066 | 0.89 | PLK1 (0.48) | PLK1BRD4BRDTTAF1PLK3 | |
| SCHEMBL4076201 | 0.87 | PLK1 (0.66) | PLK1BRD4BRDTPLK3PLK2 | |
| SCHEMBL4079108 | 0.87 | PLK1 (0.60) | PLK1BRD4BRDTTAF1PLK3 | |
| SCHEMBL1559487 | 0.84 | PLK1 (0.70) | PLK1BRD4BRDTTAF1PLK3 | |
| SCHEMBL3666649 | 0.84 | PLK1 (0.53) | PLK1BRD4BRDTTAF1PLK3 | |
| SCHEMBL4079129 | 0.84 | PLK1 (0.57) | PLK1BRD4BRDTTAF1PLK3 | |
| SCHEMBL1559584 | 0.84 | PLK1 (0.69) | PLK1BRD4BRDTTAF1PLK3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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.