Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 17/20 | 0.72 |
| ▸ | BRD4 | O60885 | 12/20 | 0.70 |
| ▸ | BRDT | Q58F21 | 9/20 | 0.70 |
| ▸ | RAD52 | P43351 | 1/20 | 0.69 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.65 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.65 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.65 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.65 |
| ▸ | EGFR | P00533 | 2/20 | 0.65 |
| ▸ | FES | P07332 | 2/20 | 0.65 |
| ▸ | PHKG2 | P15735 | 2/20 | 0.65 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.65 |
| ▸ | CLK2 | P49760 | 2/20 | 0.65 |
| ▸ | NEK2 | P51955 | 2/20 | 0.65 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.65 |
| ▸ | CAMK2B | Q13554 | 2/20 | 0.65 |
| ▸ | CAMK2G | Q13555 | 2/20 | 0.65 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.65 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.65 |
| ▸ | MINK1 | Q8N4C8 | 2/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL4298236 | 0.95 | PLK1 (0.75) | PLK1BRD4BRDTRAD52ALK | |
| SCHEMBL13611490 | 0.95 | PLK1 (0.75) | PLK1BRD4BRDTRAD52ALK | |
| SCHEMBL2395267 | 0.94 | PLK1 (0.80) | PLK1BRD4BRDTRAD52ALK | |
| SCHEMBL619232 | 0.94 | PLK1 (0.80) | PLK1BRD4BRDTRAD52ALK | |
| SCHEMBL4084613 | 0.94 | PLK1 (0.78) | PLK1BRD4BRDTRAD52ALK | |
| SCHEMBL2399302 | 0.94 | PLK1 (0.80) | PLK1BRD4BRDTRAD52ALK | |
| SCHEMBL9945373 | 0.94 | PLK1 (0.80) | PLK1BRD4BRDTRAD52ALK | |
| SCHEMBL3989196 | 0.93 | PLK1 (0.79) | PLK1BRD4BRDTRAD52ALK | |
| SCHEMBL2396540 | 0.93 | PLK1 (0.70) | PLK1BRD4BRDTRAD52ALK | |
| SCHEMBL2396238 | 0.93 | PLK1 (0.70) | PLK1BRD4BRDTRAD52ALK |
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.