SCHEMBL5752134

SCHEMBL5752134

COc1cc(OC(F)(F)F)ccc1-c1cncc(CN)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
CYP2D6 P10635 1/20 0.44
GRIN2B Q13224 1/20 0.44
CRHR1 P34998 3/20 0.43
GRM7 Q14831 1/20 0.39
RUNX1 Q01196 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ALPL P05186 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
SCHEMBL5752136 0.81 CRHR1 (0.44) KCNH2CRHR1RUNX1CYP1A1CYP1B1
SCHEMBL5752597 0.79 CRHR1 (0.53) CRHR1GRM7RUNX1
SCHEMBL5751665 0.78 CRHR1 (0.45) CRHR1GRM7RUNX1ALPL
SCHEMBL5752905 0.71 CRHR1 (0.53) GRIN2BCRHR1RUNX1
SCHEMBL7160526 0.71 CRHR1 (0.46) CRHR1GRM7RUNX1CYP1A1CYP1B1
SCHEMBL3162756 0.70 APLNR (0.45) GRIN2BCRHR1RUNX1
SCHEMBL24994313 0.70 SCN10A (0.47) KCNH2CYP2D6CRHR1ALPL
SCHEMBL24993342 0.70 SCN10A (0.48) KCNH2CRHR1
SCHEMBL5751609 0.69 CRHR1 (0.54) CRHR1RUNX1
SCHEMBL5421086 0.68 CRHR1 (0.69) CRHR1

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KCNH2 4494/4885CYP2D6 2495/4885GRIN2B 288/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A KCNH2 4494/4885CYP2D6 2495/4885GRIN2B 288/4885

“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.