SCHEMBL23779383

SCHEMBL23779383

COc1cc2ccc(-c3nc(C#N)ccc3-c3cnn(CC(F)(F)C(F)(F)F)c3)cc2nn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.53
▸ TTK P33981 4/20 0.34
▸ FADS1 O60427 4/20 0.33
▸ NQO1 P15559 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ AR P10275 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ RET P07949 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL31058711 1.00 CHRM4 (0.53) CHRM4TTKFADS1NQO1IRAK4
SCHEMBL30935855 0.91 CHRM4 (0.54) CHRM4TTKNQO1ARCCNC
SCHEMBL23779271 0.91 CHRM4 (0.54) CHRM4TTKNQO1ARCCNC
SCHEMBL30935856 0.85 CHRM4 (0.61) CHRM4NQO1CCNCCDK8LRRK2
SCHEMBL23779391 0.85 CHRM4 (0.61) CHRM4NQO1CCNCCDK8LRRK2
SCHEMBL23779291 0.82 CHRM4 (0.59) CHRM4NQO1CCNCCDK8
SCHEMBL30935879 0.82 CHRM4 (0.59) CHRM4NQO1CCNCCDK8
SCHEMBL23779283 0.82 CHRM4 (0.61) CHRM4NQO1CCNCCDK8
SCHEMBL30935892 0.82 CHRM4 (0.61) CHRM4NQO1CCNCCDK8
SCHEMBL23779298 0.81 CHRM4 (0.54) CHRM4TTKNQO1CCNCCDK8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873467-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-08-28 — — EP claimed
US-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME LLC (US) 2024-04-30 — — US claimed
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-23 — — US claimed
EP-3873467-A2 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2021-09-08 — — EP claimed
EP-3873467-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-08-28 — — EP disclosed
US-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME LLC (US) 2024-04-30 — — US disclosed
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-23 — — US disclosed
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-23 — — US disclosed
EP-3873467-A2 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2021-09-08 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM1 CHRM4 1/4885TTK 1581/4885FADS1 3766/4885
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM1 CHRM4 1/4885TTK 1581/4885FADS1 3766/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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