SCHEMBL68182

SCHEMBL68182

COCC(=O)NCCNc1nccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2cc(C)c3ncnn3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.38
TLR7 Q9NYK1 7/20 0.38
TLR9 Q9NR96 6/20 0.38
MAPK14 Q16539 8/20 0.36
MAPK13 O15264 4/20 0.36
MAPK12 P53778 4/20 0.36
MAPK11 Q15759 4/20 0.36
BRAF P15056 5/20 0.36
ALOX5 P09917 1/20 0.35
GCGR P47871 1/20 0.35
MAPK9 P45984 2/20 0.35
RAF1 P04049 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
DYRK3 O43781 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MATK P42679 1/20 0.34

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
SCHEMBL68118 0.79 CDK8 (0.42) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL68361 0.79 BRAF (0.40) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL67221 0.77 SPR (0.38) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL70235 0.77 BRAF (0.40) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL68130 0.76 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL67180 0.71 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL13693148 0.68 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL13693286 0.68 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL13693361 0.68 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL66711 0.67 BRAF (0.46) MAPK14MAPK13MAPK12MAPK11BRAF

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 11 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-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-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-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 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
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US 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 TLR8 3899/4885TLR7 4161/4885TLR9 4720/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS TLR8 4357/4885TLR7 4372/4885TLR9 4855/4885

“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.