SCHEMBL2113677

SCHEMBL2113677

COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(CN)c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.39
SRC P12931 2/20 0.36
DGAT1 O75907 1/20 0.36
EGFR P00533 1/20 0.35
IGF1R P08069 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
KMT2A Q03164 1/20 0.33
PRKCB P05771 1/20 0.33
GSK3B P49841 1/20 0.33
HTR7 P34969 1/20 0.32
MCL1 Q07820 1/20 0.32
BAD Q92934 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL2115048 0.91 DGAT1 (0.36) SRCDGAT1EGFRIGF1RFLT4
SCHEMBL2112275 0.88 SRC (0.39) SRCDGAT1EGFRIGF1RFLT4
SCHEMBL2600594 0.87 DGAT1 (0.39) SRCDGAT1EGFRIGF1RFLT4
SCHEMBL2111141 0.87 SRC (0.40) SRCDGAT1EGFRIGF1RFLT4
SCHEMBL2111836 0.86 DGAT1 (0.37) SRCDGAT1EGFRIGF1RFLT4
SCHEMBL2600595 0.84 DGAT1 (0.36) SRCDGAT1EGFRIGF1RFLT4
SCHEMBL2113680 0.84 CYP1A2 (0.36) SRCDGAT1EGFRIGF1RFLT4
SCHEMBL2114775 0.83 DGAT1 (0.43) SRCDGAT1EGFRIGF1RFLT4
SCHEMBL13950134 0.82 DGAT1 (0.34) SRCDGAT1EGFRIGF1RFLT4
SCHEMBL2600609 0.81 CYP3A4 (0.35) SRCDGAT1EGFRIGF1RFLT4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 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-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS PDXK, MAP3K4, PDPK1 DPP4 566/4885SRC 601/4885DGAT1 3455/4885

“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.