⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6141094 | 0.97 | LOXL2 (0.43) | — | |
| SCHEMBL2020886 | 0.79 | TAAR1 (0.52) | — | |
| SCHEMBL1434203 | 0.74 | — | — | |
| SCHEMBL904427 | 0.72 | — | — | |
| SCHEMBL3674028 | 0.72 | — | — | |
| SCHEMBL5844197 | 0.72 | — | — | |
| SCHEMBL8311044 | 0.72 | — | — | |
| SCHEMBL3672063 | 0.72 | — | — | |
| SCHEMBL10762406 | 0.72 | — | — | |
| SCHEMBL15828 | 0.71 | HRH3 (0.79) | — |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3177611-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2021-10-06 | — | — | EP | disclosed |
| US-10689383-B2 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | NUEVOLUTION A/S (DK) | 2020-06-23 | — | — | US | disclosed |
| EP-3246027-A1 | INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER | GlaxoSmithKline LLC (US) | 2017-11-22 | — | — | EP | disclosed |
| US-20170327503-A1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2017-11-16 | — | — | US | disclosed |
| US-9649307-B2 | Indoles | GLAXOSMITHKLINE LLC (US) | 2017-05-16 | — | — | US | disclosed |
| US-20160296518-A1 | INDOLES | GLAXOSMITHKLINE LLC | 2016-10-13 | — | — | US | disclosed |
| US-9446041-B2 | Method of treatment | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) | 2016-09-20 | — | — | US | disclosed |
| EP-2773754-B1 | Compounds for use in the treatment of T-cell mediated diseases | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2016-08-03 | — | — | EP | disclosed |
| US-9402836-B2 | Indoles | GLAXOSMITHKLINE LLC (US) | 2016-08-02 | — | — | US | disclosed |
| US-20160074394-A1 | METHOD OF TREATMENT | GLAXOSMITHKLINE LLC | 2016-03-17 | — | — | US | disclosed |
| US-20070054906-A1 | Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors | SCHERING CORPORATION | 2007-03-08 | — | — | US | disclosed |
| US-20070054925-A1 | Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors | SCHERING CORPORATION | 2007-03-08 | — | — | US | disclosed |
| US-20070037824-A1 | Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors | SCHERING CORPORATION | 2007-02-15 | — | — | US | disclosed |
| US-7161003-B1 | Pyrazolopyrimidines as cyclin dependent kinase inhibitors | SCHERING CORPORATION (US) | 2007-01-09 | — | — | US | disclosed |
| US-6919347-B2 | Bradykinin B1 receptor antagonists | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2005-07-19 | — | — | US | disclosed |
| EP-1196411-B1 | BRADYKININ B1 RECEPTOR ANTAGONISTS | PHARMACOPEIA INC (US) | 2003-09-17 | — | — | EP | disclosed |
| EP-1196411-A1 | BRADYKININ B1 RECEPTOR ANTAGONISTS | PHARMACOPEIA, INC. (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001005783-A1 | BRADYKININ B1 RECEPTOR ANTAGONISTS | PHARMACOPEIA, INC. (US) | 2001-01-25 | — | — | WO | disclosed |
| US-4728648-A | HI-RECEPTORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1988-03-01 | — | — | US | disclosed |
| EP-0194746-A2 | Pyridine derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1986-09-17 | — | — | EP | disclosed |