SCHEMBL3111104

SCHEMBL3111104

O=C(NCc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1CO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 4/20 0.44
PPARD Q03181 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
EPHX2 P34913 2/20 0.41
GCGR P47871 4/20 0.40
NR1H4 Q96RI1 1/20 0.40
DPP4 P27487 1/20 0.40
GCG P01275 1/20 0.40
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 1/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDM1A O60341 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
SCHEMBL3100296 0.92 DDR1 (0.45) DDR1PPARDCNR1CNR2MALT1
SCHEMBL3107244 0.92 PPARD (0.44) DDR1PPARDCNR1CNR2MALT1
SCHEMBL3113811 0.90 KCNK2 (0.40) DDR1CNR1EPHX2GCGRNR1H4
SCHEMBL3660685 0.90 PPARD (0.41) DDR1PPARDCNR1CNR2MALT1
SCHEMBL3113330 0.88 DDR1 (0.41) DDR1PPARDCNR1CNR2MALT1
SCHEMBL3115892 0.88 DDR1 (0.43) DDR1PPARDCNR1CNR2EPHX2
SCHEMBL3102420 0.87 CNR1 (0.41) DDR1PPARDCNR1CNR2MALT1
SCHEMBL3110196 0.87 DPP4 (0.48) DDR1PPARDCNR1CNR2MALT1
SCHEMBL3880057 0.87 CNR1 (0.39) DDR1PPARDCNR1CNR2MALT1
SCHEMBL3114614 0.87 DDR1 (0.44) DDR1PPARDCNR1CNR2EPHX2

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 DDR1 4853/4885PPARD 1415/4885CNR1 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 DDR1 1315/4885PPARD 1034/4885CNR1 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.