SCHEMBL4884652

SCHEMBL4884652

COc1cc(OC(F)(F)F)ccc1-c1ncc(Br)cc1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.46
RUNX1 Q01196 2/20 0.45
GPR3 P46089 2/20 0.40
SCN9A Q15858 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
CYP1A2 P05177 2/20 0.38
ABL1 P00519 2/20 0.37
SCN5A Q14524 1/20 0.37
CTSA P10619 1/20 0.37
GRM7 Q14831 1/20 0.36

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
SCHEMBL6344985 0.82 CRHR1 (0.47) CRHR1RUNX1GPR3SCN9AABL1
SCHEMBL6343330 0.80 SCN9A (0.43) CRHR1RUNX1GPR3SCN9AABL1
SCHEMBL4884766 0.79 CRHR1 (0.51) CRHR1RUNX1GPR3SCN9ACYP1A2
SCHEMBL6609362 0.79 CRHR1 (0.46) CRHR1RUNX1GPR3SCN9ACYP1A2
SCHEMBL5749486 0.76 CRHR1 (0.48) CRHR1RUNX1GPR3SCN9AABL1
SCHEMBL27808849 0.76 ALDH1A1 (0.47) CYP1A2
SCHEMBL4626672 0.75 CRHR1 (0.48) CRHR1RUNX1GPR3SCN9ACYP1A2
SCHEMBL6286387 0.75 CRHR1 (0.61) CRHR1RUNX1GPR3SCN9ACYP1A2
SCHEMBL4878756 0.74 CRHR1 (0.55) CRHR1RUNX1GPR3SCN9ACYP1A2
SCHEMBL5751668 0.74 CRHR1 (0.46) CRHR1RUNX1GPR3SCN9AABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
US-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands NEUROGEN CORPORATION (US) 2006-09-07 US disclosed
EP-1680424-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS Neurogen Corporation (US) 2006-07-19 EP disclosed
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 US disclosed
WO-2005023806-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-03-17 WO disclosed
EP-1392302-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2004-03-03 EP disclosed
US-20030152520-A1 5-Substituted-2-arylpyridines NEUROGEN CORPORATION 2003-08-14 US disclosed
WO-2002096421-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2002-12-05 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 (4 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-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885RUNX1 1387/4885GPR3 77/4885
US-20030152520-A1 5-Substituted-2-arylpyridines HTR5A, CRHR2, HTR2C CRHR1 5/4885RUNX1 1770/4885GPR3 116/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885RUNX1 1387/4885GPR3 77/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CRHR1 2/4885RUNX1 2949/4885GPR3 157/4885

“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.