SCHEMBL3105773

SCHEMBL3105773

CN(CCC(N)=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 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.40
DDR1 Q08345 3/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
GCGR P47871 3/20 0.36
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
DPP4 P27487 1/20 0.36
LSS P48449 1/20 0.35
TACR2 P21452 1/20 0.34
TACR1 P25103 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NLRP1 Q9C000 1/20 0.34

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
SCHEMBL3108345 0.93 PPARD (0.41) PPARDDDR1CNR1CNR2MALT1
SCHEMBL3113330 0.92 DDR1 (0.41) PPARDDDR1CNR1CNR2MALT1
SCHEMBL3100310 0.89 EPHX2 (0.40) PPARDDDR1CNR1CNR2GCGR
SCHEMBL3100296 0.86 DDR1 (0.45) PPARDDDR1CNR1CNR2MALT1
SCHEMBL3711570 0.85 MALT1 (0.36) PPARDCNR1CNR2MALT1GCGR
SCHEMBL3111104 0.85 DDR1 (0.44) PPARDDDR1CNR1CNR2MALT1
SCHEMBL3107244 0.83 PPARD (0.44) PPARDDDR1CNR1CNR2MALT1
SCHEMBL3110196 0.81 DPP4 (0.48) PPARDDDR1CNR1CNR2MALT1
SCHEMBL3114614 0.80 DDR1 (0.44) PPARDDDR1CNR1CNR2EPHX2
SCHEMBL3115892 0.80 DDR1 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 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

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 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.