SCHEMBL67976

SCHEMBL67976

C[Si](C)(C)CCOCn1cc(-c2ccncc2)nc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.50
BRD4 O60885 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PDE10A Q9Y233 2/20 0.40
GRM5 P41594 2/20 0.39
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL16497612 0.88 DGAT1 (0.44) DGAT1BRD4NPC1RAB9APDE10A
SCHEMBL24229514 0.83 DGAT1 (0.47) DGAT1BRD4NPC1RAB9APDE10A
SCHEMBL16661146 0.82 DGAT1 (0.66) DGAT1BRD4PDE10AGRM5TLR8
SCHEMBL19065558 0.80 DGAT1 (0.46) DGAT1BRD4PDE10AGRM5TLR8
SCHEMBL24956780 0.80 DGAT1 (0.44) DGAT1BRD4PDE10ATLR8
SCHEMBL23123637 0.80 DGAT1 (0.46) DGAT1BRD4PDE10ATLR8
SCHEMBL84164 0.80 DGAT1 (0.56) DGAT1BRD4PDE10A
SCHEMBL17834356 0.79 DGAT1 (0.50) DGAT1NPC1RAB9ATLR8
SCHEMBL15181504 0.79 DGAT1 (0.49) DGAT1BRD4GRM5TLR8
SCHEMBL19065700 0.78 DGAT1 (0.45) DGAT1BRD4PDE10ATLR8

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 14 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-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
WO-2011038261-A1 HETEROCYCLIC KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-03-31 WO disclosed
WO-2011038261-A1 HETEROCYCLIC KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-03-31 WO 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
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS DEAN DAVID K 2007-06-14 US disclosed
US-7199137-B2 Imidazole derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2007-04-03 US disclosed
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 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 (5 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-20130040983-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF DGAT1 1565/4885BRD4 1001/4885NPC1 2313/4885
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF DGAT1 4493/4885BRD4 129/4885NPC1 1566/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS DGAT1 3367/4885BRD4 182/4885NPC1 4113/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS DGAT1 2240/4885BRD4 192/4885NPC1 3321/4885
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors BRAF, RAF1, ARAF DGAT1 4387/4885BRD4 251/4885NPC1 1281/4885

“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.