SCHEMBL112175

SCHEMBL112175

COc1ncc2c(ccn2COCC[Si](C)(C)C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.39
EGFR P00533 1/20 0.32
IGF1R P08069 1/20 0.32
SRC P12931 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
EPHB4 P54760 1/20 0.32
TEK Q02763 1/20 0.32
MAPT P10636 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
SCHEMBL31366407 0.84 DGAT1 (0.40) DGAT1MAPT
SCHEMBL16610937 0.81 DGAT1 (0.40) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL20154999 0.81 DGAT1 (0.39) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL27041306 0.78 DGAT1 (0.38) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL30728208 0.78 DGAT1 (0.38) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL21768429 0.77 DGAT1 (0.40) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL16611671 0.76 DGAT1 (0.34) DGAT1MAPT
SCHEMBL20893945 0.76 ALDH1A1 (0.36) DGAT1FLT4KDR
SCHEMBL22576055 0.75 DGAT1 (0.38) DGAT1MAPT
SCHEMBL30501966 0.75 DGAT1 (0.38) DGAT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
US-8598217-B2 Imidazole derivatives and their use as modulators of cyclin dependent kinases ASTEX THERAPEUTICS LTD. (GB) 2013-12-03 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 DGAT1 4775/4885EGFR 531/4885IGF1R 358/4885

“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.