SCHEMBL3100296

SCHEMBL3100296

NCc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1CNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 5/20 0.45
DPP4 P27487 2/20 0.45
PPARD Q03181 1/20 0.42
EPHX2 P34913 3/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
GCGR P47871 3/20 0.40
NR1H4 Q96RI1 1/20 0.39
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
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
GCG P01275 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
SCHEMBL3110196 0.95 DPP4 (0.48) DDR1DPP4PPARDEPHX2CNR1
SCHEMBL3111104 0.92 DDR1 (0.44) DDR1DPP4PPARDEPHX2CNR1
SCHEMBL3115945 0.90 KCNK2 (0.39) DDR1DPP4EPHX2CNR1GCGR
SCHEMBL3107244 0.89 PPARD (0.44) DDR1DPP4PPARDEPHX2CNR1
SCHEMBL3115892 0.87 DDR1 (0.43) DDR1PPARDEPHX2CNR1CNR2
SCHEMBL3660685 0.87 PPARD (0.41) DDR1PPARDEPHX2CNR1CNR2
SCHEMBL3108345 0.87 PPARD (0.41) DDR1DPP4PPARDEPHX2CNR1
SCHEMBL3102420 0.86 CNR1 (0.41) DDR1DPP4PPARDEPHX2CNR1
SCHEMBL3880057 0.86 CNR1 (0.39) DDR1DPP4PPARDEPHX2CNR1
SCHEMBL3114614 0.86 DDR1 (0.44) DDR1PPARDEPHX2CNR1CNR2

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 4 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
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

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

For each of this compound's patents that has machine-readable text (1 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-20100256202-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF ALK, ROS1, CYP11B2 DDR1 1315/4885DPP4 1949/4885PPARD 1034/4885

“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.