SCHEMBL2600599

SCHEMBL2600599

COc1ncccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.35
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NAAA Q02083 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
WDR5 P61964 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
EGFR P00533 1/20 0.31
IGF1R P08069 1/20 0.31
SRC P12931 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
EPHB4 P54760 1/20 0.31
TEK Q02763 1/20 0.31
NPC1 O15118 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
SCHEMBL2113439 0.87 DGAT1 (0.38) DGAT1BRD4CREBBPPDE10A
SCHEMBL2111836 0.87 DGAT1 (0.37) DGAT1RAB9AKDM4EALDH1A1BRD4
SCHEMBL2112307 0.86 DGAT1 (0.35) DGAT1BRD4CREBBP
SCHEMBL2600611 0.86 DGAT1 (0.35) DGAT1BRD4CREBBPMAPT
SCHEMBL2113169 0.83 DGAT1 (0.39) DGAT1KDM4EALDH1A1BRD4CREBBP
SCHEMBL2600605 0.82 DGAT1 (0.41) DGAT1RAB9ABRD4CREBBPSRC
SCHEMBL2600596 0.82 DGAT1 (0.40) DGAT1BRD4CREBBP
SCHEMBL2112864 0.82 DGAT1 (0.36) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL2113255 0.80 DGAT1 (0.36) DGAT1BRD4CREBBP
SCHEMBL2600598 0.80 DGAT1 (0.39) DGAT1WDR5EGFRIGF1RSRC

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 5 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-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 3455/4885RAB9A 2891/4885KDM4E 1072/4885

“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.