SCHEMBL3100310

SCHEMBL3100310

CN(CCS(C)(=O)=O)Cc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1CNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.40
NR1H4 Q96RI1 3/20 0.40
DDR1 Q08345 10/20 0.40
PPARD Q03181 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
DPP4 P27487 1/20 0.35
GCGR P47871 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL3113330 0.91 DDR1 (0.41) EPHX2NR1H4DDR1PPARDCNR1
SCHEMBL3105773 0.89 PPARD (0.40) EPHX2NR1H4DDR1PPARDCNR1
SCHEMBL3108345 0.88 PPARD (0.41) EPHX2NR1H4DDR1PPARDCNR1
SCHEMBL3111104 0.84 DDR1 (0.44) EPHX2NR1H4DDR1PPARDCNR1
SCHEMBL3114614 0.84 DDR1 (0.44) EPHX2NR1H4DDR1PPARDCNR1
SCHEMBL3100296 0.83 DDR1 (0.45) EPHX2NR1H4DDR1PPARDCNR1
SCHEMBL3107244 0.83 PPARD (0.44) EPHX2NR1H4DDR1PPARDCNR1
SCHEMBL3115892 0.82 DDR1 (0.43) EPHX2NR1H4DDR1PPARDCNR1
SCHEMBL3102420 0.82 CNR1 (0.41) EPHX2NR1H4DDR1PPARDCNR1
SCHEMBL3660685 0.80 PPARD (0.41) EPHX2NR1H4DDR1PPARDCNR1

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 6 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 claimed
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 claimed
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 EPHX2 1587/4885NR1H4 487/4885DDR1 1315/4885

“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.