SCHEMBL5571981

SCHEMBL5571981

Cc1cc(-n2ccc(-c3ccccn3)n2)c(CCO)c(Nc2ccc(C#N)cc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.47
GRM5 P41594 3/20 0.43
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 2/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PKM P14618 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
AR P10275 1/20 0.32
TGFBR1 P36897 1/20 0.31
TGFBR2 P37173 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
THRB P10828 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
SCHEMBL5571894 0.92 CRHR1 (0.47) CRHR1GRM5KDM4ETSHRHSD17B10
SCHEMBL5571467 0.88 CRHR1 (0.48) CRHR1GRM5FFAR1PKM
SCHEMBL5568930 0.87 CRHR1 (0.43) CRHR1GRM5KDM4ETSHRHSD17B10
SCHEMBL5569019 0.83 CRHR1 (0.46) CRHR1GRM5KDM4ETSHRHSD17B10
SCHEMBL5571878 0.79 CRHR1 (0.42) CRHR1GRM5KDM4EHSD17B10FFAR1
SCHEMBL5569011 0.78 GRM5 (0.38) CRHR1GRM5FFAR1GSK3B
SCHEMBL5550638 0.78 CRHR1 (0.57) CRHR1
SCHEMBL5567939 0.77 CRHR1 (0.44) CRHR1GRM5FFAR1
SCHEMBL5569003 0.76 CRHR1 (0.51) CRHR1
SCHEMBL5550003 0.75 CRHR1 (0.49) 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 1/4885GRM5 239/4885KDM4E 4352/4885

“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.