Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.30 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22295297 | 0.76 | ALDH1A1 (0.35) | CA1CA2PARP1ALDH1A1 | |
| SCHEMBL30688485 | 0.76 | HTR5A (0.32) | HTR5A | |
| SCHEMBL24422447 | 0.76 | CA2 (0.36) | CA2ALDH1A1 | |
| SCHEMBL8470060 | 0.76 | GABRA1 (0.36) | HTR2C | |
| SCHEMBL24422183 | 0.76 | GABRA1 (0.36) | HTR2CCYP1A2CA1CA2 | |
| SCHEMBL4526375 | 0.76 | CA1 (0.37) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL20124453 | 0.71 | — | — | |
| SCHEMBL30688531 | 0.69 | AURKA (0.41) | PARP1ALDH1A1 | |
| SCHEMBL16758686 | 0.69 | CA2 (0.37) | CREBBPCA1CA2CA7CA9 | |
| SCHEMBL18635356 | 0.69 | — | — |
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-2708540-B1 | PYRIMIDO-DIAZEPINONE COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-07-25 | — | — | EP | disclosed |
| US-9453021-B2 | Pyrimidodiazepinone compound | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2016-09-27 | — | — | US | disclosed |
| US-9453021-B2 | Pyrimidodiazepinone compound | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2016-09-27 | — | — | US | disclosed |
| WO-2016123576-A1 | COMT INHIBITING METHODS AND COMPOSITIONS | LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) | 2016-08-04 | — | — | WO | disclosed |
| US-20140171422-A1 | PYRIMIDODIAZEPINONE COMPOUND | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2014-06-19 | — | — | US | disclosed |
| US-20140171422-A1 | PYRIMIDODIAZEPINONE COMPOUND | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2014-06-19 | — | — | US | disclosed |
| EP-2708540-A1 | PYRIMIDO-DIAZEPINONE COMPOUND | Kyowa Hakko Kirin Co., Ltd. (JP) | 2014-03-19 | — | — | EP | disclosed |
| WO-2012153796-A1 | PYRIMIDO-DIAZEPINONE COMPOUND | 協和発酵キリン株式会社 (JP) | 2012-11-15 | — | — | 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-20140171422-A1 | PYRIMIDODIAZEPINONE COMPOUND | REN, AGTR1, KCNJ1 | HTR2C 268/4885HTR5A 551/4885CYP1A2 772/4885 |
“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.