SCHEMBL19031925

SCHEMBL19031925

[O-][n+]1cc(Cl)cc(Br)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.32

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
SCHEMBL31330009 0.77
SCHEMBL20599404 0.77
SCHEMBL30159594 0.71 ALDH1A1 (0.32)
SCHEMBL31329811 0.71 POLB (0.35)
SCHEMBL25219379 0.67 NMT1 (0.35)
SCHEMBL30461566 0.67 NMT1 (0.35)
SCHEMBL29911345 0.65
SCHEMBL23405304 0.65
SCHEMBL23405180 0.64 CYP2A6 (0.31)
SCHEMBL1009926 0.64 FLT1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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

For each of this compound's patents that has machine-readable text (3 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-20200069671-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM5 ERN1 3914/4885
US-20190000824-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM5, CHRM3 ERN1 3985/4885
US-10933056-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 ERN1 3914/4885

“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.