SCHEMBL3113229

SCHEMBL3113229

COCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1CNC(=O)NCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.55
CNR2 P34972 2/20 0.39
KLKB1 P03952 1/20 0.39
IDH1 O75874 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3103553 0.91 CNR1 (0.58) CNR1IDH1PKMKMT2A
SCHEMBL3104836 0.90 CNR1 (0.56) CNR1CNR2IDH1KMT2A
SCHEMBL3224422 0.90 CNR1 (0.52) CNR1CNR2IDH1KMT2A
SCHEMBL3114375 0.88 CNR1 (0.58) CNR1IDH1PKMRAB9AKMT2A
SCHEMBL3110050 0.86 CNR1 (0.60) CNR1CNR2IDH1KMT2A
SCHEMBL3713619 0.81 CNR1 (0.53) CNR1CNR2KMT2A
SCHEMBL4912775 0.80 CNR1 (0.46) CNR1CNR2
SCHEMBL4913349 0.78 TRPV1 (0.52) MAPK1
SCHEMBL3114608 0.77 DPP4 (0.44)
SCHEMBL3107244 0.76 PPARD (0.44) CNR1CNR2MAPK1

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 11/4885CNR2 4/4885KLKB1 2627/4885

“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.