SCHEMBL5752136

SCHEMBL5752136

CNc1cncc(-c2ccc(OC(F)(F)F)cc2OC)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.44
ADORA3 P0DMS8 4/20 0.44
SCN9A Q15858 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ABL1 P00519 3/20 0.42
KCNH2 Q12809 1/20 0.42
BRAF P15056 1/20 0.41
ALPL P05186 1/20 0.40
RUNX1 Q01196 1/20 0.40

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
SCHEMBL5752134 0.81 KCNH2 (0.44) CRHR1CYP1A1CYP1B1KCNH2ALPL
SCHEMBL5752602 0.80 CRHR1 (0.53) CRHR1SCN9AABL1KCNH2ALPL
SCHEMBL5751668 0.79 CRHR1 (0.46) CRHR1SCN9AABL1KCNH2ALPL
SCHEMBL24994313 0.76 SCN10A (0.47) CRHR1ADORA3ABL1KCNH2BRAF
SCHEMBL6286387 0.72 CRHR1 (0.61) CRHR1SCN9ACYP1A1CYP1B1RUNX1
SCHEMBL24994716 0.72 ADORA3 (0.51) ADORA3CYP1A1CYP1B1BRAFALPL
SCHEMBL24993342 0.71 SCN10A (0.48) CRHR1ADORA3ABL1KCNH2BRAF
SCHEMBL5752912 0.71 CRHR1 (0.50) CRHR1SCN9AABL1KCNH2RUNX1
SCHEMBL5466346 0.70 CRHR1 (0.47) CRHR1ADORA3SCN9ARUNX1
SCHEMBL5439518 0.70 CRHR1 (0.47) CRHR1ADORA3SCN9ARUNX1

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 CRHR1 1/4885ADORA3 169/4885SCN9A 4767/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885ADORA3 169/4885SCN9A 4767/4885

“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.