SCHEMBL2129540

SCHEMBL2129540

Cn1cc(-c2cn(COCC[Si](C)(C)C)cn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
PIM1 P11309 3/20 0.36
FYN P06241 6/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
FGFR3 P22607 3/20 0.35
KDR P35968 3/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
FGFR1 P11362 2/20 0.35
FGFR2 P21802 2/20 0.35
FGFR4 P22455 2/20 0.35
CHEK1 O14757 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL1505957 0.80 HPGDS (0.42) DGAT1
SCHEMBL204155 0.78 SMN1; SMN2 (0.46) DGAT1MAPK1
SCHEMBL4069982 0.78 HPGDS (0.41) DGAT1
SCHEMBL4062141 0.78 DGAT1 (0.38) DGAT1CYP11B1CYP11B2KDM5BMAPK1
SCHEMBL4065195 0.77 MAPT (0.48) DGAT1CYP11B1MAPK1
SCHEMBL24955614 0.77 CYP2A6 (0.63) DGAT1FYNCYP11B1CYP11B2MAPK1
SCHEMBL31106995 0.77 CYP2A6 (0.63) DGAT1FYNCYP11B1CYP11B2MAPK1
SCHEMBL31403194 0.76 DGAT1 (0.39) DGAT1CYP11B1CYP11B2MAPK1
SCHEMBL28903752 0.76 FGFR3 (0.36) DGAT1PIM1FYNFGFR3KDR
SCHEMBL2369367 0.75 CYP11B1 (0.39) DGAT1CYP11B1CYP11B2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938261-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2018-04-10 US disclosed
EP-2766359-B9 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES AMBIT BIOSCIENCES CORP (US) 2017-04-05 EP disclosed
US-20160362405-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2016-12-15 US disclosed
US-9452167-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-09-27 US disclosed
EP-2766359-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES AMBIT BIOSCIENCES CORP (US) 2016-04-13 EP disclosed
US-20150196566-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-07-16 US disclosed
US-8952058-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-02-10 US disclosed
EP-2766359-A2 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES Ambit Biosciences Corporation (US) 2014-08-20 EP disclosed
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
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
WO-2013056070-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-04-18 WO disclosed
US-20130096113-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-04-18 US disclosed
CN-102803225-A Imidazole derivatives and their use as modulators of cyclin dependent kinases NOVARTIS AG 2012-11-28 CN 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
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US 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 (4 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-20160362405-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA DGAT1 3769/4885PIM1 383/4885FYN 50/4885
US-20130096113-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA DGAT1 3769/4885PIM1 383/4885FYN 50/4885
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 DGAT1 4775/4885PIM1 651/4885FYN 1299/4885
US-20150196566-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA DGAT1 3769/4885PIM1 383/4885FYN 50/4885

“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.