SCHEMBL68130

SCHEMBL68130

COCC(=O)NCCNc1nccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2cnc(N)c(OC)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.40
MAPK13 O15264 6/20 0.40
MAPK12 P53778 6/20 0.40
MAPK11 Q15759 6/20 0.40
MAPK9 P45984 2/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 9/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CSNK1D P48730 2/20 0.36
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
MATK P42679 1/20 0.36
FRK P42685 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 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
SCHEMBL68361 0.87 BRAF (0.40) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL68211 0.85 BRAF (0.48) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL67373 0.85 BRAF (0.48) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL67372 0.85 BRAF (0.48) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL68118 0.81 CDK8 (0.42) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL67180 0.80 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL67221 0.78 SPR (0.38) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL70235 0.78 BRAF (0.40) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL66711 0.78 BRAF (0.46) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL67720 0.77 BRAF (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US claimed
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-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 484/4885MAPK13 178/4885MAPK12 501/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885MAPK13 197/4885MAPK12 353/4885

“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.