Sugi Predict

Sugi Predict / Compounds / SCHEMBL2113680

SCHEMBL2113680

SCHEMBL2113680

CNc1c(Br)cnc2c1c(-c1ccccc1OC)cn2COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ SRC P12931 2/20 0.35
▸ 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
▸ LMNA P02545 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ MCL1 Q07820 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
SCHEMBL2600609 0.89 CYP3A4 (0.35) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL2111141 0.87 SRC (0.40) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL2600594 0.87 DGAT1 (0.39) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL2111836 0.86 DGAT1 (0.37) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL2112275 0.86 SRC (0.39) DGAT1SRCEGFRIGF1RFLT4
SCHEMBL2115048 0.85 DGAT1 (0.36) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL2113677 0.84 DPP4 (0.39) DGAT1SRCEGFRIGF1RFLT4
SCHEMBL2600595 0.84 DGAT1 (0.36) CYP1A2CYP3A4ALDH1A1HSD17B10TDP1
SCHEMBL13950134 0.84 DGAT1 (0.34) CYP1A2CYP3A4ALDH1A1HSD17B10DGAT1
SCHEMBL2114775 0.83 DGAT1 (0.43) ALDH1A1HSD17B10TDP1DGAT1SRC

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 CYP1A2 1991/4885CYP3A4 1448/4885ALDH1A1 2177/4885

“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.