Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 2/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.31 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6436824 | 0.89 | MAPT (0.38) | CYP1A2HTTCYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6436587 | 0.82 | DRD2 (0.38) | CYP1A2HTTCYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6435436 | 0.78 | MAPT (0.35) | CYP1A2HTTCYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6435808 | 0.78 | PDE10A (0.33) | PDE10ACYP1A2HTTCYP2C9CYP2C19 | |
| SCHEMBL7677112 | 0.77 | DRD2 (0.34) | CYP1A2HTTCYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6436823 | 0.75 | MGMT (0.34) | PDE10AALDH1A1MAPTGRM5 | |
| SCHEMBL6952830 | 0.72 | RAB9A (0.47) | HTTALDH1A1MAPTMAPK1 | |
| SCHEMBL6435632 | 0.72 | L3MBTL1 (0.34) | ALDH1A1MAPTNPSR1 | |
| SCHEMBL6955056 | 0.71 | PNMT (0.40) | HTTALDH1A1MAPTMAPK1PARP1 | |
| SCHEMBL6955100 | 0.71 | MAPT (0.39) | CYP1A2HTTCYP2C9CYP2C19CYP2D6 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1303521-B1 | TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2005-02-02 | — | — | EP | claimed |
| EP-1303521-A1 | TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | claimed |
| US-20020045635-A1 | Novel mGluR antagonists and a method for their synthesis | HOFFMANN-LA ROCHE, INC. | 2002-04-18 | — | — | US | claimed |
| US-6369222-B1 | NITRO- AND CYANO-1,2,4,5-TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES; BRAIN, EYE, MUSCULAR, PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-04-09 | — | — | US | claimed |
| WO-2002006288-A1 | TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | WO | claimed |
| EP-1303521-B1 | TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2005-02-02 | — | — | EP | disclosed |
| EP-1303521-A1 | TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-20020045635-A1 | Novel mGluR antagonists and a method for their synthesis | HOFFMANN-LA ROCHE, INC. | 2002-04-18 | — | — | US | disclosed |
| US-6369222-B1 | NITRO- AND CYANO-1,2,4,5-TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES; BRAIN, EYE, MUSCULAR, PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-04-09 | — | — | US | disclosed |
| WO-2002006288-A1 | TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | 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-20020045635-A1 | Novel mGluR antagonists and a method for their synthesis | GRM1, GRM5, GRM2 | PDE10A 872/4885CYP1A2 2104/4885HTT 2707/4885 |
“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.