⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27896107 | 0.81 | CYP1A2 (0.44) | — | |
| SCHEMBL23709293 | 0.78 | — | — | |
| SCHEMBL761961 | 0.73 | — | — | |
| SCHEMBL19962844 | 0.71 | — | — | |
| SCHEMBL6965627 | 0.71 | — | — | |
| SCHEMBL23057501 | 0.69 | — | — | |
| SCHEMBL15531851 | 0.67 | — | — | |
| SCHEMBL24492428 | 0.67 | — | — | |
| SCHEMBL18031063 | 0.67 | EPHX1 (0.34) | — | |
| SCHEMBL15600846 | 0.67 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2462144-B1 | PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE | MERCK SHARP & DOHME (US) | 2017-09-20 | — | — | EP | claimed |
| US-20120220769-A1 | PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE | SCHERING CORPORATION (US) | 2012-08-30 | — | — | US | claimed |
| EP-2462144-A2 | PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE | Schering Corporation (US) | 2012-06-13 | — | — | EP | claimed |
| WO-2011017299-A2 | PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE | SCHERING CORPORATION (US) | 2011-02-10 | — | — | WO | claimed |
| CN-114667287-A | Adenosine A2A receptor antagonists and uses thereof | 泰昂治疗公司 | 2022-06-24 | — | — | CN | disclosed |
| EP-2462144-B1 | PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE | MERCK SHARP & DOHME (US) | 2017-09-20 | — | — | EP | disclosed |
| EP-2462144-B1 | PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE | MERCK SHARP & DOHME (US) | 2017-09-20 | — | — | EP | disclosed |
| US-8598343-B2 | Process for preparing a 2-alkynyl substituted 5-amino-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine | MERCK SHARP & DOHME CORP. (US) | 2013-12-03 | — | — | US | disclosed |
| US-20120220769-A1 | PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE | SCHERING CORPORATION (US) | 2012-08-30 | — | — | US | disclosed |
| EP-2462144-A2 | PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE | Schering Corporation (US) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011017299-A2 | PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE | SCHERING CORPORATION (US) | 2011-02-10 | — | — | WO | disclosed |
| WO-2011017299-A2 | PROCESS FOR PREPARING A 2-ALKYNYL SUBSTITUTED 5-AMINO-PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE | SCHERING CORPORATION (US) | 2011-02-10 | — | — | WO | disclosed |