SCHEMBL67452

SCHEMBL67452

C[Si](C)(C)CCOCn1c(-c2ccc(F)cc2)nc(-c2ccncc2)c1-c1cnc2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.46
PIK3CD O00329 4/20 0.43
PIK3CA P42336 4/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
MTOR P42345 3/20 0.40
TNIK Q9UKE5 3/20 0.40
CSNK1D P48730 1/20 0.37
MAPK13 O15264 5/20 0.37
MAPK12 P53778 5/20 0.37
MAPK11 Q15759 5/20 0.37
GCGR P47871 2/20 0.37
MAPT P10636 1/20 0.36
AURKA O14965 1/20 0.36
FLT1 P17948 1/20 0.36
GCK P35557 1/20 0.36
FLT4 P35916 1/20 0.36
MAP3K11 Q16584 1/20 0.36
STK17A Q9UEE5 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL4350838 0.73 MAPK14 (0.47) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1128245 0.73 MAPK14 (0.47) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL8098361 0.72 MAPK14 (0.48) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL16497623 0.71 MEN1 (0.40) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL1128148 0.71 MAPK14 (0.45) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL7138996 0.71 MAPK14 (0.43) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL2145931 0.71 TEK (0.39) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL14690185 0.70 MAPK14 (0.41) MAPK14CSNK1DMAPTTEK
SCHEMBL14701090 0.70 MAPK14 (0.43) MAPK14TEK
SCHEMBL16497629 0.70 BRAF (0.44) MAPK14CSNK1DMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MAPK14 484/4885PIK3CD 202/4885PIK3CA 30/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885PIK3CD 89/4885PIK3CA 45/4885

“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.