SCHEMBL5568709

SCHEMBL5568709

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.38
BDKRB2 P30411 1/20 0.37
ADORA2A P29274 4/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
F10 P00742 1/20 0.32
BRD4 O60885 1/20 0.31
ADORA1 P30542 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
KLKB1 P03952 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
SCHEMBL5572186 0.85 BDKRB2 (0.39) CRHR1BDKRB2ADORA2AHCRTR1HCRTR2
SCHEMBL5572013 0.83 BDKRB2 (0.38) CRHR1BDKRB2ADORA2AHCRTR1HCRTR2
SCHEMBL5571874 0.83 CRHR1 (0.40) CRHR1BDKRB2ADORA2AHCRTR1HCRTR2
SCHEMBL5572225 0.77 GRM5 (0.38) CRHR1F10MAPK1
SCHEMBL5572302 0.76 HCRTR1 (0.40) CRHR1BDKRB2HCRTR1HCRTR2KDM4E
SCHEMBL5572296 0.75 CRHR1 (0.37) CRHR1BDKRB2ADORA2AF10KDM4E
SCHEMBL5572298 0.75 CRHR1 (0.37) CRHR1BDKRB2ADORA2AF10KDM4E
SCHEMBL3244939 0.74 CRHR1 (0.47) CRHR1
SCHEMBL2192145 0.70 CRHR1 (0.47) CRHR1ALDH1A1
SCHEMBL14601148 0.67 CRHR1 (0.54) CRHR1

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 1/4885BDKRB2 34/4885ADORA2A 250/4885

“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.