Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.51 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.49 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.49 |
| ▸ | F10 | P00742 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12426327 | 0.82 | F10 (0.49) | USP30F10MEN1KMT2AALDH1A1 | |
| SCHEMBL738237 | 0.81 | HTR4 (0.53) | KMT2AMCHR1 | |
| SCHEMBL2546256 | 0.80 | MAPK14 (0.52) | MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL12894091 | 0.79 | KMT2A (0.60) | MEN1KMT2AALDH1A1CYP1A2MCHR1 | |
| SCHEMBL1927002 | 0.79 | KMT2A (0.54) | MEN1KMT2AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL12825174 | 0.79 | KMT2A (0.57) | MEN1KMT2AALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL13575481 | 0.79 | F10 (0.52) | F10KMT2ACYP2C9MCHR1 | |
| SCHEMBL13575483 | 0.79 | CRBN (0.53) | MEN1KMT2AALDH1A1MCHR1TSHR | |
| SCHEMBL29152339 | 0.78 | MCHR1 (0.48) | DRD2KMT2ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL1926980 | 0.78 | KMT2A (0.59) | MEN1KMT2AALDH1A1CYP2C19CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003785-B2 | Halo-substituted pyrimidodiazepines | TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) | 2011-08-23 | — | — | US | disclosed |
| US-20090318408-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-24 | — | — | US | disclosed |
| WO-2009153197-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | 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-20090318408-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES | PLK1, CCNI, CDK1 | CDK5 77/4885CDK5R1 101/4885USP30 3379/4885 |
“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.