SCHEMBL3116597

SCHEMBL3116597

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 4/20 0.40
KCNK10 P57789 4/20 0.40
DDR1 Q08345 4/20 0.38
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 4/20 0.38
EPHX2 P34913 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NLRP1 Q9C000 1/20 0.36
PPARD Q03181 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
GCG P01275 1/20 0.34
GCGR P47871 1/20 0.34
KMT2A Q03164 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
SCHEMBL3113811 0.92 KCNK2 (0.40) KCNK2KCNK10DDR1ROCK2ROCK1
SCHEMBL3105837 0.91 KCNK2 (0.38) KCNK2KCNK10DDR1ROCK2ROCK1
SCHEMBL3111589 0.91 ROCK2 (0.36) KCNK2KCNK10DDR1ROCK2ROCK1
SCHEMBL3107244 0.91 PPARD (0.44) DDR1ROCK2ROCK1EPHX2NR1H4
SCHEMBL3115945 0.90 KCNK2 (0.39) KCNK2KCNK10DDR1ROCK2ROCK1
SCHEMBL3113176 0.89 KCNK2 (0.36) KCNK2KCNK10DDR1ROCK2ROCK1
SCHEMBL3658814 0.89 KCNK2 (0.41) KCNK2KCNK10DDR1ROCK2ROCK1
SCHEMBL3103535 0.88 KCNK2 (0.39) KCNK2KCNK10DDR1EPHX2NR1H4
SCHEMBL3114225 0.88 DDR1 (0.38) KCNK2KCNK10DDR1EPHX2NR1H4
SCHEMBL3110314 0.87 DDR1 (0.38) KCNK2KCNK10DDR1ROCK2ROCK1

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 2 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

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 KCNK2 651/4885KCNK10 1487/4885DDR1 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.