SCHEMBL4924779

SCHEMBL4924779

CCCCCNc1nc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1N

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.58
BRD4 O60885 4/20 0.42
TLR7 Q9NYK1 5/20 0.38
SCN9A Q15858 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL7473622 0.83 CRHR1 (0.58) CRHR1BRD4TLR7SCN9A
SCHEMBL4627787 0.82 CRHR1 (0.80) CRHR1
SCHEMBL7119050 0.81 CRHR1 (0.48) CRHR1TLR7ADORA3
SCHEMBL6201263 0.81 CRHR1 (0.62) CRHR1BRD4TLR7SCN9A
SCHEMBL6202450 0.80 CRHR1 (0.56) CRHR1BRD4TLR7
SCHEMBL6201786 0.80 CRHR1 (0.60) CRHR1BRD4SCN9A
SCHEMBL7476681 0.80 CRHR1 (0.58) CRHR1BRD4SCN9AADORA3
SCHEMBL6203614 0.79 CRHR1 (0.70) CRHR1BRD4SCN9A
SCHEMBL7472049 0.78 CRHR1 (0.56) CRHR1TLR7ADORA3
SCHEMBL7477682 0.77 CRHR1 (0.57) CRHR1BRD4SCN9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US 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 (1 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-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP CRHR1 1/4885BRD4 1399/4885TLR7 2109/4885

“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.