SCHEMBL5572018

SCHEMBL5572018

COc1ccc(Nc2nc(C)cc(-n3ccc(-c4nccs4)n3)c2CCO)c(C(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.49
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
SRC P12931 1/20 0.33
ZAP70 P43403 1/20 0.33
SYK P43405 1/20 0.33
ADORA2A P29274 2/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL5568102 0.89 CRHR1 (0.51) CRHR1
SCHEMBL5569033 0.89 CRHR1 (0.51) CRHR1
SCHEMBL5572212 0.84 CRHR1 (0.45) CRHR1PDE10A
SCHEMBL5568871 0.83 CRHR1 (0.49) CRHR1PDE10A
SCHEMBL5547345 0.83 CRHR1 (0.50) CRHR1
SCHEMBL5568075 0.83 CRHR1 (0.50) CRHR1SRCZAP70SYK
SCHEMBL5572074 0.83 CRHR1 (0.47) CRHR1SRCSYKPDE10A
SCHEMBL5551914 0.79 CRHR1 (0.54) CRHR1SRCZAP70SYKPDE10A
SCHEMBL5550638 0.79 CRHR1 (0.57) CRHR1ADORA2APDE10A
SCHEMBL5571984 0.77 CRHR1 (0.47) CRHR1CYP1A1CYP1A2CYP1B1

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-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-03-22 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-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists CRHR1, CRHR2, CRH CRHR1 1/4885CYP1A1 453/4885CYP1A2 492/4885

“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.