SCHEMBL5751609

SCHEMBL5751609

COc1cc(OC(F)(F)F)ccc1-c1nc(CN)c(Br)nc1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.54
SCN9A Q15858 1/20 0.39
RUNX1 Q01196 2/20 0.37
GPR3 P46089 2/20 0.36
CHRM5 P08912 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CTSA P10619 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
SCHEMBL5752905 0.92 CRHR1 (0.53) CRHR1SCN9ARUNX1GPR3CHRM5
SCHEMBL5751614 0.81 CRHR1 (0.58) CRHR1SCN9ARUNX1GPR3
SCHEMBL6286387 0.81 CRHR1 (0.61) CRHR1SCN9ARUNX1GPR3
SCHEMBL5751665 0.80 CRHR1 (0.45) CRHR1SCN9ARUNX1GPR3CTSA
SCHEMBL5414869 0.79 CRHR1 (0.68) CRHR1SCN9ARUNX1GPR3CTSA
SCHEMBL5752597 0.79 CRHR1 (0.53) CRHR1SCN9ARUNX1GPR3CTSA
SCHEMBL5441650 0.77 CRHR1 (0.81) CRHR1
SCHEMBL4878160 0.76 CRHR1 (0.53) CRHR1SCN9ARUNX1GPR3CTSA
SCHEMBL5751947 0.75 CRHR1 (0.49) CRHR1SCN9ARUNX1CTSA
SCHEMBL14619741 0.74 CRHR1 (0.54) CRHR1SCN9ARUNX1GPR3

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.