SCHEMBL5571874

SCHEMBL5571874

Cc1cc(-n2ccc(-n3cccn3)n2)c(C=O)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.40
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RECQL P46063 1/20 0.35
BDKRB2 P30411 1/20 0.35
F10 P00742 1/20 0.34
ADORA2A P29274 1/20 0.33
NOTUM Q6P988 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
ADORA1 P30542 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL5572298 0.84 CRHR1 (0.37) CRHR1KDM4EALDH1A1BDKRB2F10
SCHEMBL5572296 0.84 CRHR1 (0.37) CRHR1KDM4EALDH1A1BDKRB2F10
SCHEMBL5568709 0.83 CRHR1 (0.38) CRHR1KDM4EALDH1A1MAPK1BDKRB2
SCHEMBL5572186 0.79 BDKRB2 (0.39) CRHR1KDM4EALDH1A1MAPTBDKRB2
SCHEMBL5572013 0.77 BDKRB2 (0.38) CRHR1KDM4EALDH1A1MAPTBDKRB2
SCHEMBL5572302 0.76 HCRTR1 (0.40) CRHR1KDM4EALDH1A1BDKRB2HCRTR1
SCHEMBL5572219 0.76 GRM5 (0.40) CRHR1KDM4EMAPK1MAPTNPSR1
SCHEMBL14601148 0.71 CRHR1 (0.54) CRHR1
SCHEMBL2188954 0.68 CRHR1 (0.48) CRHR1ALDH1A1NPSR1
SCHEMBL2630762 0.65 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1MAPTNPSR1

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 1/4885KDM4E 4352/4885ALDH1A1 2319/4885

“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.