SCHEMBL20302136

SCHEMBL20302136

COc1cc(CNc2nc(Cl)c(C)cc2C(=O)O)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.43
▸ AURKA O14965 2/20 0.42
▸ RPS6KB1 P23443 2/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ JAK3 P52333 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ASPH Q12797 2/20 0.40
▸ KDM8 Q8N371 2/20 0.40
▸ RIOX2 Q8IUF8 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ DHFR P00374 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL20302809 0.90 AURKA (0.42) HIF1AAURKARPS6KB1AURKBJAK3
SCHEMBL20302576 0.89 AURKA (0.51) HIF1AAURKARPS6KB1AURKBJAK3
SCHEMBL20303063 0.81 KDM4C (0.56) HIF1AALDH1A1MAPTHTTKDM4E
SCHEMBL22261106 0.72 JAK3 (0.59) AURKARPS6KB1AURKBJAK3
SCHEMBL20302799 0.71 MAPT (0.52) HIF1AALDH1A1MAPTKDM4EMEN1
SCHEMBL20302512 0.71 MAPT (0.50) HIF1AALDH1A1MAPTKDM4EMEN1
SCHEMBL20302815 0.71 KDM4C (0.50) HIF1AAURKARPS6KB1JAK3ALDH1A1
SCHEMBL3397304 0.70 DHFR (0.49) HIF1AAURKARPS6KB1AURKBALDH1A1
SCHEMBL6103515 0.70 KDM4E (0.53) HIF1AAURKARPS6KB1ALDH1A1HTT
SCHEMBL31139804 0.70 KDM4E (0.53) HIF1AAURKARPS6KB1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558307-B1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-05-03 — — EP disclosed
US-10836775-B2 6,6-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2020-11-17 — — US disclosed
EP-3558307-A1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2019-10-30 — — EP disclosed
US-20190315762-A1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-10-17 — — US disclosed
WO-2018118735-A1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — 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 (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-20190315762-A1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM5, CHRM2 HIF1A 4835/4885AURKA 2039/4885RPS6KB1 3418/4885
US-10836775-B2 6,6-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM5, CHRM2 HIF1A 4835/4885AURKA 2039/4885RPS6KB1 3418/4885

“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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