Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.67 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 4/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1926980 | 0.83 | KMT2A (0.59) | MEN1KMT2ARAB9A | |
| SCHEMBL12825174 | 0.81 | KMT2A (0.57) | MAPK1MEN1KMT2ARAB9A | |
| SCHEMBL13175544 | 0.81 | TDP1 (0.69) | HTR4POLBMEN1KMT2ATDP1 | |
| SCHEMBL13575572 | 0.81 | POLB (0.51) | HTR4POLBMEN1KMT2ARAB9A | |
| SCHEMBL12426667 | 0.81 | HSD17B10 (0.67) | HTR4KDM4ERAB9ACYP2D6CYP2C9 | |
| SCHEMBL12505362 | 0.80 | POLB (0.55) | HTR4POLBMEN1KMT2ARAB9A | |
| SCHEMBL13175545 | 0.80 | ALDH1A1 (0.65) | HTR4POLBMEN1KMT2ARAB9A | |
| SCHEMBL13575470 | 0.80 | POLB (0.55) | HTR4POLBMEN1KMT2ARAB9A | |
| SCHEMBL12426338 | 0.80 | POLB (0.52) | HTR4POLBMEN1KMT2ARAB9A | |
| SCHEMBL13175546 | 0.80 | HTR4 (0.69) | HTR4PDE4APDE4BPDE4CPDE4D |
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 | CXCR4 3589/4885HTR4 2822/4885PDE4A 3333/4885 |
“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.