SCHEMBL3479342

SCHEMBL3479342

N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1Cl

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.70
CNR2 P34972 16/20 0.70
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52

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
SCHEMBL3626666 0.87 CNR1 (0.69) CNR1CNR2
SCHEMBL3482043 0.86 CNR1 (0.67) CNR1CNR2ADORA2AADORA1
SCHEMBL19835709 0.85 CNR1 (0.55) CNR1CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL3628024 0.83 CNR1 (0.63) CNR1CNR2
SCHEMBL3626102 0.83 CNR1 (0.65) CNR1CNR2
SCHEMBL4412951 0.81 CNR1 (0.65) CNR1CNR2
SCHEMBL5360588 0.80 CNR1 (0.61) CNR1CNR2
SCHEMBL13498508 0.79 NPSR1 (0.69) CNR1CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL5359447 0.79 CNR1 (0.70) CNR1CNR2
SCHEMBL3661291 0.78 NPSR1 (0.46) CNR1CNR2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US claimed
US-20050182103-A1 Substituted 2,3-diphenyl pyridines MERCK SHARP & DOHME CORP. 2005-08-18 US claimed
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 EP claimed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 WO claimed
US-7728141-B2 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. (US) 2010-06-01 US disclosed
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
US-20100029697-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
EP-2139332-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP disclosed
EP-1682550-B1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2009-12-23 EP disclosed
WO-2008121257-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-09 WO disclosed
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
US-20070032517-A1 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. 2007-02-08 US disclosed
EP-1682550-A4 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2007-01-03 EP disclosed
EP-1682550-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES Merck & Co., Inc. (US) 2006-07-26 EP disclosed
US-20050182103-A1 Substituted 2,3-diphenyl pyridines MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
WO-2005047285-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO., INC. (US) 2005-05-26 WO disclosed
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 EP disclosed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 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 (4 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-20050182103-A1 Substituted 2,3-diphenyl pyridines CNR1, CNR2, MAG CNR1 1/4885CNR2 2/4885CYP1A2 641/4885
US-20100029697-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CYP1A2 745/4885
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CYP1A2 584/4885
US-20070032517-A1 Substituted naphthyridinone derivatives CNR1, CNR2, MAG CNR1 1/4885CNR2 2/4885CYP1A2 605/4885

“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.