SCHEMBL67109

SCHEMBL67109

COc1cc(-c2nc(-c3ccc(F)cc3)n(COCC[Si](C)(C)C)c2Br)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.43
FYN P06241 5/20 0.40
DGAT1 O75907 3/20 0.40
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
DHPS P49366 1/20 0.34
ALK Q9UM73 2/20 0.34
BRAF P15056 1/20 0.34
GRM5 P41594 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PIK3CA P42336 1/20 0.33
MAPT P10636 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
SCHEMBL84579 0.92 DGAT1 (0.39) TNIKFYNDGAT1ALOX5APFEN1
SCHEMBL68603 0.83 TNIK (0.39) TNIKFYNDGAT1ALOX5APFEN1
SCHEMBL15181498 0.81 DGAT1 (0.40) DGAT1ALOX5APFEN1PIK3CAMAPT
SCHEMBL68028 0.78 ACVR1 (0.42) FYNALK
SCHEMBL68061 0.76 PRMT5 (0.35) TNIKFYNPIK3CA
SCHEMBL23797282 0.75 DGAT1 (0.40) DGAT1MAPT
SCHEMBL68112 0.75 DGAT1 (0.41) DGAT1MAPT
SCHEMBL23797464 0.71 DGAT1 (0.44) DGAT1ALOX5APFEN1MAPT
SCHEMBL68078 0.71 FYN (0.48) TNIKFYNPDGFRBPDGFRAALK
SCHEMBL84580 0.70 DGAT1 (0.49) FYNDGAT1GRM5PIK3CA

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 628/4885DGAT1 3367/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS TNIK 348/4885FYN 520/4885DGAT1 2240/4885

“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.