⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL15319386 | 0.62 | — | — | |
| SCHEMBL5325001 | 0.57 | — | — | |
| SCHEMBL3883752 | 0.54 | — | — | |
| SCHEMBL17514062 | 0.53 | — | — | |
| SCHEMBL9624823 | 0.53 | — | — | |
| SCHEMBL5323960 | 0.52 | — | — | |
| SCHEMBL11502705 | 0.52 | — | — | |
| SCHEMBL10475181 | 0.51 | CFTR (0.47) | — | |
| SCHEMBL29908520 | 0.49 | — | — | |
| SCHEMBL8006767 | 0.49 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104520298-B | For treating two azepines ketone derivatives of fragile X syndrome, parkinson disease or reflux disease | 诺华股份有限公司 | 2016-10-19 | — | — | CN | claimed |
| EP-2888259-A1 | DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE | Novartis AG (CH) | 2015-07-01 | — | — | EP | claimed |
| WO-2014030128-A1 | DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE | NOVARTIS AG (CH) | 2014-02-27 | — | — | WO | claimed |
| US-10669252-B2 | Benzazepine derivative, preparation method, pharmaceutical composition and use thereof | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2020-06-02 | — | — | US | disclosed |
| US-20190152941-A1 | BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2019-05-23 | — | — | US | disclosed |
| CN-104520298-B | For treating two azepines ketone derivatives of fragile X syndrome, parkinson disease or reflux disease | 诺华股份有限公司 | 2016-10-19 | — | — | CN | disclosed |
| EP-2888259-A1 | DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE | Novartis AG (CH) | 2015-07-01 | — | — | EP | disclosed |
| WO-2014030128-A1 | DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE | NOVARTIS AG (CH) | 2014-02-27 | — | — | WO | disclosed |
| EP-1332147-A1 | THIENO[2,3-C ISOQUINOLINES FOR USE AS INHIBITORS OF PARP | SMITHKLINE BEECHAM PLC (GB) | 2003-08-06 | — | — | EP | disclosed |
| WO-2002036599-A1 | THIENO[2,3-C]ISOQUINOLINES FOR USE AS INHIBITORS OF PARP | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-05-10 | — | — | WO | disclosed |
| EP-0005745-A1 | Pyrazolo (3,4-c) and thiazolo (5,4-c) isoquinolines, methods for preparing them, these compounds for use as antiinflammatory, CNS-depressant and anti-anxiety agents and pharmaceutical compositions thereof | GRUPPO LEPETIT S.P.A. (IT) | 1979-12-12 | — | — | EP | disclosed |