⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL845384 | 0.77 | KEAP1 (0.31) | — | |
| SCHEMBL29752052 | 0.77 | KEAP1 (0.31) | — | |
| SCHEMBL26961129 | 0.75 | KEAP1 (0.34) | — | |
| SCHEMBL26961128 | 0.71 | SLC9A1 (0.39) | — | |
| SCHEMBL11358955 | 0.67 | TDP1 (0.35) | — | |
| SCHEMBL15391731 | 0.67 | — | — | |
| SCHEMBL27947698 | 0.67 | KHK (0.39) | — | |
| SCHEMBL5401553 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL846319 | 0.67 | — | — | |
| SCHEMBL15389802 | 0.66 | KEAP1 (0.44) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3644991-B1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME LLC (US) | 2023-08-02 | — | — | EP | disclosed |
| EP-3644992-B1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME LLC (US) | 2023-03-29 | — | — | EP | disclosed |
| US-11339156-B2 | 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor | MERCK SHARP & DOHME CORP. (US) | 2022-05-24 | — | — | US | disclosed |
| US-20210380580-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2021-12-09 | — | — | US | disclosed |
| US-11149036-B2 | 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor | MSD R&D (CHINA) CO., LTD. (CN) | 2021-10-19 | — | — | US | disclosed |
| US-10933056-B2 | 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor | MERCK SHARP & DOHME CORP. (US) | 2021-03-02 | — | — | US | disclosed |
| EP-3769763-A1 | 3-(1H-PYRAZOL-4-YL) PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2021-01-27 | — | — | EP | disclosed |
| EP-3393472-B1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME (US) | 2020-08-12 | — | — | EP | disclosed |
| US-20200207758-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2020-07-02 | — | — | US | disclosed |
| EP-3644991-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | Merck Sharp & Dohme Corp. (US) | 2020-05-06 | — | — | EP | disclosed |
| EP-3644992-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | Merck Sharp & Dohme Corp. (US) | 2020-05-06 | — | — | EP | disclosed |
| US-20200069671-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2020-03-05 | — | — | US | disclosed |
| WO-2019005587-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | disclosed |
| WO-2019005588-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | disclosed |
| US-20190000824-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | US | disclosed |
| EP-3393472-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | Merck Sharp & Dohme Corp. (US) | 2018-10-31 | — | — | EP | disclosed |
| WO-2017112556-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2017-06-29 | — | — | WO | disclosed |