SCHEMBL5569003

SCHEMBL5569003

CCc1cc(C#N)ccc1Nc1nc(C)cc(-n2ccc(-c3nccs3)n2)c1CCO

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.51
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A3 P11169 1/20 0.33
SLC2A4 P14672 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL5550638 0.92 CRHR1 (0.57) CRHR1ADORA2AADORA1SLC2A1SLC2A3
SCHEMBL5550003 0.88 CRHR1 (0.49) CRHR1SLC2A1SLC2A3SLC2A4
SCHEMBL5571952 0.87 CRHR1 (0.46) CRHR1ADORA2AADORA1SLC2A1SLC2A3
SCHEMBL5571989 0.86 CRHR1 (0.51) CRHR1SLC2A1SLC2A3SLC2A4
SCHEMBL5572074 0.82 CRHR1 (0.47) CRHR1PDE10A
SCHEMBL5572212 0.80 CRHR1 (0.45) CRHR1PDE10A
SCHEMBL5568102 0.79 CRHR1 (0.51) CRHR1
SCHEMBL5568871 0.79 CRHR1 (0.49) CRHR1PDE10A
SCHEMBL5551912 0.79 CRHR1 (0.51) CRHR1ADORA2AADORA1
SCHEMBL5569033 0.79 CRHR1 (0.51) 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 1/4885ADORA2A 250/4885ADORA1 156/4885

“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.