SCHEMBL111018

SCHEMBL111018

COC(=O)c1ccc(C#N)c(-c2c(OC)ncc3c2ccn3COCC[Si](C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.34
TBK1 Q9UHD2 1/20 0.34
KDM1A O60341 4/20 0.33
NPC1 O15118 1/20 0.32
EGLN1 Q9GZT9 2/20 0.32
SCN9A Q15858 3/20 0.32
SCN5A Q14524 1/20 0.32
MCL1 Q07820 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL112224 0.78 CDK4 (0.45) TBK1EGLN1
SCHEMBL112972 0.74 KLKB1 (0.38) ADORA2ATBK1EGLN1SCN9AMCL1
SCHEMBL16611671 0.72 DGAT1 (0.34)
SCHEMBL112175 0.72 DGAT1 (0.39)
SCHEMBL19464188 0.71 KDM4E (0.55) NPC1MCL1
SCHEMBL29653734 0.71 KDM4E (0.55) NPC1MCL1
SCHEMBL15058992 0.69 KDM1A (0.34) KDM1ANPC1
SCHEMBL20605036 0.69 NPC1 (0.38) NPC1
SCHEMBL31300570 0.69 NPC1 (0.38) NPC1
SCHEMBL15555898 0.69 XDH (0.37) EGLN1KDM5AKDM5B

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 ADORA2A 2971/4885TBK1 1382/4885KDM1A 601/4885

“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.