SCHEMBL3104836

SCHEMBL3104836

COCC(=O)NCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1CNC(=O)NCc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.56
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 1/20 0.38
IDH1 O75874 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
ANO2 Q9NQ90 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL3713619 0.91 CNR1 (0.53) CNR1MAPTKMT2ACNR2ANO1
SCHEMBL3110050 0.90 CNR1 (0.60) CNR1KMT2ACNR2IDH1TP53
SCHEMBL3113229 0.90 CNR1 (0.55) CNR1KMT2ACNR2IDH1
SCHEMBL3103553 0.88 CNR1 (0.58) CNR1MAPTKMT2AIDH1
SCHEMBL3114375 0.85 CNR1 (0.58) CNR1MAPTKMT2AIDH1
SCHEMBL3224422 0.84 CNR1 (0.52) CNR1KMT2ACNR2IDH1
SCHEMBL3113188 0.81 PPARD (0.44) CNR1MAPTCNR2
SCHEMBL3111589 0.75 ROCK2 (0.36) CNR1CNR2
SCHEMBL13307940 0.72 CNR1 (1.00) CNR1
SCHEMBL23135761 0.71 KMT2A (0.62) MAPTKMT2A

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 CNR1 11/4885MAPT 2975/4885KMT2A 1145/4885

“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.