⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11296635 | 0.77 | — | — | |
| SCHEMBL9118213 | 0.77 | CYP1A2 (0.31) | — | |
| SCHEMBL7487282 | 0.70 | SIRT1 (0.30) | — | |
| SCHEMBL8763953 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL3276351 | 0.69 | ABCG2 (0.36) | — | |
| SCHEMBL5086097 | 0.68 | ALDH1A1 (0.50) | — | |
| SCHEMBL354061 | 0.68 | PNMT (0.36) | — | |
| SCHEMBL9038870 | 0.64 | — | — | |
| SCHEMBL2413 | 0.62 | CYP3A4 (0.54) | — | |
| SCHEMBL27862680 | 0.62 | AHR (0.54) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7915280-B2 | Compounds and their uses | EISAI INC. (US) | 2011-03-29 | — | — | US | disclosed |
| US-RE41150-E1 | Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one | EISAI CORPORATION OF NORTH AMERICA (US) | 2010-02-23 | — | — | US | disclosed |
| US-7235557-B2 | Compounds and their uses | MGI GP, INC. (US) | 2007-06-26 | — | — | US | disclosed |
| US-20060142266-A1 | Compounds and their uses | MGI GP, INC. (US) | 2006-06-29 | — | — | US | disclosed |
| US-20060003987-A1 | Compounds and their uses | GUILFORD PHARMACEUTICALS, INC. (US) | 2006-01-05 | — | — | US | disclosed |
| US-20050148575-A1 | (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury | GUILFORD PHARMACEUTICALS INC. (US) | 2005-07-07 | — | — | US | disclosed |
| US-6887996-B2 | Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one | GUILFORD PHARMACEUTICALS INC. (US) | 2005-05-03 | — | — | US | disclosed |
| EP-1339402-A2 | BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 2003-09-03 | — | — | EP | disclosed |
| US-20030022883-A1 | Compounds and their use | EISAI INC. | 2003-01-30 | — | — | US | disclosed |
| WO-2002044183-A2 | BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 2002-06-06 | — | — | WO | disclosed |
| US-5278187-A | Cardioprotection drugs | BRITISH TECHNOLOGY GROUP LTD. (GB) | 1994-01-11 | — | — | US | disclosed |
| US-5162372-A | Diester-diamide-diamine | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1992-11-10 | — | — | US | disclosed |
| US-5149710-A | Pharmaceutical compositions for treating psoriasis | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1992-09-22 | — | — | US | disclosed |
| EP-0197752-B1 | PHARMACEUTICAL COMPOSITIONS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1990-09-12 | — | — | EP | disclosed |
| US-4902714-A | N,N'-DIPROPARGYLOXYCARBONYLMETHYL-N,N'-DIAMINOCARBONYLMETHYL -1,2-DIAMINOPROPANE | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1990-02-20 | — | — | US | disclosed |
| US-4755619-A | Pharmaceutical compositions | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1988-07-05 | — | — | US | disclosed |