Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | DPYD | Q12882 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 4/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20225042 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2D6CHEK1ALOX15LMNA | |
| SCHEMBL30324424 | 0.76 | CYP1A2 (0.51) | CYP1A2CYP2D6CHEK1ALOX15LMNA | |
| SCHEMBL7013187 | 0.76 | CYP1A2 (0.56) | CYP1A2CYP2D6ALOX15LMNATSHR | |
| SCHEMBL18956191 | 0.76 | CYP1A2 (0.51) | CYP1A2CYP2D6CHEK1ALOX15LMNA | |
| SCHEMBL21896048 | 0.76 | CYP1A2 (0.51) | CYP1A2CYP2D6CHEK1ALOX15LMNA | |
| Trimethylammonium SCHEMBL30422034 | 0.72 | CYP1A2 (0.59) | CYP1A2CYP2D6ALOX15LMNATSHR | |
| SCHEMBL2902002 | 0.71 | TSHR (0.43) | CYP1A2CYP2D6CHEK1ALOX15LMNA | |
| SCHEMBL14274453 | 0.71 | CYP1A2 (0.46) | CYP1A2CYP2D6ALOX15LMNATSHR | |
| SCHEMBL6380789 | 0.69 | CYP1A2 (0.45) | CYP1A2CYP2D6ALOX15LMNATSHR | |
| SCHEMBL20911745 | 0.69 | NPC1 (0.54) | CYP1A2CYP2D6CHEK1LMNARAB9A |
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 4 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-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 |
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 | CYP1A2 772/4885CYP2D6 53/4885CHEK1 2652/4885 |
“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.