SCHEMBL3114685

SCHEMBL3114685

COCc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1CO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.38
CNR1 P21554 5/20 0.37
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 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
SCHEMBL3102348 0.90 DPP4 (0.41) CRHR1
SCHEMBL4910547 0.89 DPP4 (0.45) CRHR1CNR1MAPTMEN1KMT2A
SCHEMBL3114608 0.83 DPP4 (0.44) CRHR1
SCHEMBL3109826 0.81 GRM5 (0.38) CNR1MAPT
SCHEMBL4906797 0.79 DPP4 (0.53) CRHR1CNR1MAPTMEN1KMT2A
SCHEMBL4515528 0.78 PDE4B (0.35) CRHR1CNR1GABRA2GABRB2CDC7
SCHEMBL3116597 0.76 KCNK2 (0.40) KMT2AMAPK1
SCHEMBL4805584 0.76 CNR1 (0.48) CNR1
SCHEMBL4911902 0.75 MALT1 (0.43) CRHR1CNR1
SCHEMBL4038688 0.75 CRHR1 (0.39) CRHR1GABRA2GABRB2

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
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 CRHR1 2350/4885CNR1 11/4885GABRA2 639/4885

“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.