SCHEMBL68603

SCHEMBL68603

COc1cc(-c2nc(-c3ccc(F)cc3)n(COCC[Si](C)(C)C)c2-c2nccs2)cnc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.39
FYN P06241 2/20 0.36
MET P08581 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
MAPK14 Q16539 2/20 0.34
MAP3K12 Q12852 1/20 0.33
DGAT1 O75907 2/20 0.33
BRAF P15056 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
SMPD3 Q9NY59 1/20 0.32
APLNR P35414 1/20 0.32
CASR P41180 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 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
SCHEMBL67109 0.83 TNIK (0.43) TNIKFYNDGAT1BRAFALOX5AP
SCHEMBL84579 0.75 DGAT1 (0.39) TNIKFYNDGAT1BRAFALOX5AP
SCHEMBL85078 0.71 MAPK14 (0.43) FYNMETMAPK14SMPD3MAPT
SCHEMBL67452 0.67 MAPK14 (0.46) TNIKMAPK14FEN1MAPT
SCHEMBL68587 0.66 PRMT5 (0.34) TNIKFYNBRAFMAPT
SCHEMBL84580 0.66 DGAT1 (0.49) FYNDGAT1
SCHEMBL15181498 0.65 DGAT1 (0.40) DGAT1ALOX5APFEN1MAPT
SCHEMBL68028 0.65 ACVR1 (0.42) FYN
SCHEMBL68192 0.64 FYN (0.48) TNIKFYNMAPT
SCHEMBL67455 0.64 CDC25A (0.55) TNIKFYNMAPT

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
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
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 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 (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 TNIK 204/4885FYN 628/4885MET 384/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS TNIK 348/4885FYN 520/4885MET 968/4885

“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.