SCHEMBL2140494

SCHEMBL2140494

CCc1cccc(CC)c1-c1cc(Oc2ccc3c(N)noc3c2)c(CN2CCCC(F)(F)C2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.38
ADORA1 P30542 5/20 0.38
SCN9A Q15858 1/20 0.34
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
F10 P00742 2/20 0.31
F2 P00734 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
GRM2 Q14416 1/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
DHODH Q02127 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL1329394 0.92 KDM4E (0.36) F10F2GPBAR1DRD2HTR2A
SCHEMBL1327089 0.80 ALDH1A1 (0.37) GPBAR1
SCHEMBL1327997 0.76 KDM4E (0.35)
SCHEMBL2138907 0.75 KMT2A (0.34)
SCHEMBL2143361 0.75 MAPT (0.36) SCN9A
SCHEMBL1330420 0.74 RECQL (0.37)
SCHEMBL1328144 0.74 C5AR1 (0.34) CYP3A4
SCHEMBL1329425 0.72 KDM4E (0.36) CYP3A4
SCHEMBL1328878 0.70 SCN9A (0.41) SCN9A
SCHEMBL1327250 0.70 C5AR1 (0.38) CYP3A4CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ADORA2A 54/4885ADORA1 22/4885SCN9A 1307/4885

“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.