SCHEMBL23779353

SCHEMBL23779353

Cc1cc(-c2cnn(CC(C)(C)O)c2)c(Br)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.50
▸ PIK3CA P42336 2/20 0.41
▸ PDK2 Q15119 2/20 0.40
▸ KCNJ5 P48544 1/20 0.40
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ TTK P33981 7/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35

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
SCHEMBL23779310 0.86 FFAR1 (0.36) FFAR1PIK3CAPDK2TTK
SCHEMBL23779355 0.79 CREBBP (0.33) FFAR1PDK2
SCHEMBL20619321 0.76 AXL (0.40) PDK2TTK
SCHEMBL19049885 0.75 CHRM4 (0.35) PDK2
SCHEMBL15262270 0.75 FFAR1 (0.51) FFAR1PIK3CAPDK2ALOX5APFEN1
SCHEMBL20602822 0.74 CHRM4 (0.46) PDK2
SCHEMBL26847591 0.73 FFAR1 (0.44) FFAR1PIK3CAPDK2KCNJ5ALOX5AP
SCHEMBL23762972 0.72 FFAR1 (0.51) FFAR1PIK3CAPDK2KCNJ5ALOX5AP
SCHEMBL23630967 0.72 KCNJ5 (0.48) FFAR1PIK3CAPDK2KCNJ5ALOX5AP
SCHEMBL30291208 0.71 FFAR1 (0.44) FFAR1KCNJ5ALOX5APFEN1TTK

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 4 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 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
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 FFAR1 695/4885PIK3CA 1281/4885PDK2 3147/4885
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM1 FFAR1 695/4885PIK3CA 1281/4885PDK2 3147/4885

“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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