SCHEMBL5568911

SCHEMBL5568911

Cc1cc(-n2ccc(-n3cccn3)n2)c(CCO[Si](C)(C)C(C)(C)C)c(Nc2ccc(C#N)cc2C)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.41
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 2/20 0.31
SLC34A1 Q06495 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL5567945 0.93 CRHR1 (0.42) CRHR1KDM4EHSD17B10GRM5SLC34A1
SCHEMBL5571864 0.92 CRHR1 (0.43) CRHR1GRM5KCNH2
SCHEMBL5568292 0.86 CRHR1 (0.46) CRHR1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL5571878 0.85 CRHR1 (0.42) CRHR1KDM4EHSD17B10NPSR1MEN1
SCHEMBL5551912 0.82 CRHR1 (0.51) CRHR1KDM4EHSD17B10NPSR1
SCHEMBL5569019 0.79 CRHR1 (0.46) CRHR1KDM4EHSD17B10GRM5SLC34A1
SCHEMBL2191943 0.79 CRHR1 (0.38) CRHR1
SCHEMBL5572490 0.78 CRHR1 (0.46) CRHR1GRM5SLC34A1KCNH2
SCHEMBL5568930 0.78 CRHR1 (0.43) CRHR1KDM4EHSD17B10GRM5
SCHEMBL5568978 0.77 CRHR1 (0.45) 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 1/4885NPC1 1106/4885ALDH1A1 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.