SCHEMBL5751665

SCHEMBL5751665

COc1cc(OC(F)(F)F)ccc1-c1nc(CN)cnc1Br

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.45
RUNX1 Q01196 2/20 0.41
SCN9A Q15858 1/20 0.39
PDE4B Q07343 1/20 0.38
CTSA P10619 1/20 0.36
GRM7 Q14831 1/20 0.36
GPR3 P46089 2/20 0.35
ALPL P05186 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
SCN5A Q14524 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
SCHEMBL5752597 0.88 CRHR1 (0.53) CRHR1RUNX1SCN9APDE4BCTSA
SCHEMBL5752905 0.83 CRHR1 (0.53) CRHR1RUNX1SCN9ACTSAGPR3
SCHEMBL5751668 0.81 CRHR1 (0.46) CRHR1RUNX1SCN9AGPR3ALPL
SCHEMBL5751609 0.80 CRHR1 (0.54) CRHR1RUNX1SCN9ACTSAGPR3
SCHEMBL5752134 0.78 KCNH2 (0.44) CRHR1RUNX1GRM7ALPL
SCHEMBL14619741 0.74 CRHR1 (0.54) CRHR1RUNX1SCN9AGPR3SCN5A
SCHEMBL5752912 0.74 CRHR1 (0.50) CRHR1RUNX1SCN9AGPR3SCN5A
SCHEMBL4884652 0.73 CRHR1 (0.46) CRHR1RUNX1SCN9ACTSAGRM7
SCHEMBL5414869 0.72 CRHR1 (0.68) CRHR1RUNX1SCN9ACTSAGPR3
SCHEMBL5409786 0.71 CRHR1 (0.47) CRHR1RUNX1SCN9ACTSAGPR3

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