SCHEMBL3107244

SCHEMBL3107244

COCc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1CNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.44
DDR1 Q08345 5/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
EPHX2 P34913 2/20 0.40
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
NR1H4 Q96RI1 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
GCGR P47871 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL3111104 0.92 DDR1 (0.44) PPARDDDR1CNR1CNR2EPHX2
SCHEMBL3116597 0.91 KCNK2 (0.40) PPARDDDR1EPHX2ROCK2ROCK1
SCHEMBL3100296 0.89 DDR1 (0.45) PPARDDDR1CNR1CNR2EPHX2
SCHEMBL3108035 0.89 PPARD (0.44) PPARDDDR1CNR1CNR2EPHX2
SCHEMBL4913349 0.86 TRPV1 (0.52) PPARDDDR1EPHX2ROCK2ROCK1
SCHEMBL3113188 0.85 PPARD (0.44) PPARDDDR1CNR1CNR2EPHX2
SCHEMBL3113330 0.85 DDR1 (0.41) PPARDDDR1CNR1CNR2EPHX2
SCHEMBL3114614 0.85 DDR1 (0.44) PPARDDDR1CNR1CNR2EPHX2
SCHEMBL3115892 0.85 DDR1 (0.43) PPARDDDR1CNR1CNR2EPHX2
SCHEMBL3660685 0.85 PPARD (0.41) PPARDDDR1CNR1CNR2EPHX2

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-8362045-B2 5,6-diaryl pyridines substituted in the 2- and 3-position, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-29 US disclosed
US-20100256202-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-07 US disclosed
EP-2209768-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-28 EP disclosed
US-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS 2009-08-13 US disclosed
WO-2009087285-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-07-16 WO disclosed
EP-2010492-A2 AMINOMETHYL PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-01-07 EP disclosed
WO-2007119001-A2 AMINOMETHYL PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-10-25 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-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF TPMT, QDPR, HNMT PPARD 1415/4885DDR1 4853/4885CNR1 987/4885
US-20100256202-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF ALK, ROS1, CYP11B2 PPARD 1034/4885DDR1 1315/4885CNR1 11/4885

“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.