Sugi Predict

Sugi Predict / Compounds / SCHEMBL2114775

SCHEMBL2114775

SCHEMBL2114775

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 6/20 0.43
▸ SRC P12931 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ USP1 O94782 1/20 0.33
▸ HSD17B10 Q99714 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 2/20 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
SCHEMBL2111141 0.86 SRC (0.40) DGAT1SRCEGFRIGF1RFLT4
SCHEMBL2600594 0.86 DGAT1 (0.39) DGAT1SRCEGFRIGF1RFLT4
SCHEMBL2600604 0.86 DGAT1 (0.43) DGAT1ALOX5APFEN1
SCHEMBL2112275 0.85 SRC (0.39) DGAT1SRCEGFRIGF1RFLT4
SCHEMBL2111836 0.85 DGAT1 (0.37) DGAT1SRCEGFRIGF1RFLT4
SCHEMBL2115048 0.84 DGAT1 (0.36) DGAT1SRCEGFRIGF1RFLT4
SCHEMBL2600595 0.83 DGAT1 (0.36) DGAT1SRCEGFRIGF1RFLT4
SCHEMBL2113680 0.83 CYP1A2 (0.36) DGAT1SRCEGFRIGF1RFLT4
SCHEMBL2113677 0.83 DPP4 (0.39) DGAT1SRCEGFRIGF1RFLT4
SCHEMBL13950134 0.81 DGAT1 (0.34) DGAT1SRCEGFRIGF1RFLT4

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 7 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-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 — — US disclosed
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
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 — — US disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 — — US disclosed
WO-2008150914-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-12-11 — — WO 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 DGAT1 3455/4885SRC 601/4885EGFR 1086/4885

“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.