SCHEMBL5568398

SCHEMBL5568398

Cc1cc(-n2ccc(-c3ccccn3)n2)c(CCO[Si](C)(C)C(C)(C)C)c(Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
MAPK1 P28482 1/20 0.33
CRHR1 P34998 3/20 0.33
FFAR1 O14842 4/20 0.32
PDE10A Q9Y233 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
DUT P33316 2/20 0.30
DGAT1 O75907 1/20 0.30
F2 P00734 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
SCHEMBL5309171 0.84 CRHR1 (0.44) CRHR1PDE10A
SCHEMBL5569011 0.82 GRM5 (0.38) GRM5MAPK1CRHR1FFAR1PDE10A
SCHEMBL5568930 0.81 CRHR1 (0.43) GRM5CRHR1FFAR1
SCHEMBL5572240 0.80 GRM5 (0.40) GRM5MAPK1CRHR1FFAR1PDE10A
SCHEMBL3260975 0.79 CRHR1 (0.44) CRHR1PDE10A
SCHEMBL5571878 0.79 CRHR1 (0.42) GRM5CRHR1FFAR1
SCHEMBL5572225 0.77 GRM5 (0.38) GRM5MAPK1CRHR1FFAR1PDE10A
SCHEMBL5567939 0.77 CRHR1 (0.44) GRM5CRHR1FFAR1
SCHEMBL5572219 0.72 GRM5 (0.40) GRM5MAPK1CRHR1FFAR1PDE10A
SCHEMBL5571400 0.71 JMJD6 (0.43) MAPK1

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 GRM5 239/4885MAPK1 757/4885CRHR1 1/4885

“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.