SCHEMBL5752912

SCHEMBL5752912

CNc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(Br)nc1Br

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.50
SCN9A Q15858 1/20 0.41
RUNX1 Q01196 2/20 0.39
GPR3 P46089 4/20 0.38
SCN5A Q14524 1/20 0.35
CHRNA7 P36544 1/20 0.35
ABL1 P00519 2/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5751614 0.91 CRHR1 (0.58) CRHR1SCN9ARUNX1GPR3SCN5A
SCHEMBL5441386 0.84 CRHR1 (0.65) CRHR1
SCHEMBL5439514 0.83 CRHR1 (0.53) CRHR1SCN9ARUNX1
SCHEMBL6203243 0.83 CRHR1 (0.48) CRHR1SCN9ARUNX1
SCHEMBL5434985 0.82 CRHR1 (0.49) CRHR1SCN9ARUNX1SCN5A
SCHEMBL6202901 0.82 CRHR1 (0.47) CRHR1SCN9ARUNX1
SCHEMBL5751668 0.81 CRHR1 (0.46) CRHR1SCN9ARUNX1GPR3ABL1
SCHEMBL5752905 0.81 CRHR1 (0.53) CRHR1SCN9ARUNX1GPR3SCN5A
SCHEMBL5435486 0.80 CRHR1 (0.50) CRHR1SCN9ARUNX1
SCHEMBL5436065 0.80 CRHR1 (0.50) CRHR1SCN9ARUNX1

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 1/4885SCN9A 4767/4885RUNX1 1387/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885SCN9A 4767/4885RUNX1 1387/4885

“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.