SCHEMBL68361

SCHEMBL68361

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.40
MAPT P10636 3/20 0.40
MAPK14 Q16539 8/20 0.39
POLB P06746 1/20 0.39
MAPK13 O15264 4/20 0.38
MAPK12 P53778 4/20 0.38
MAPK11 Q15759 4/20 0.38
RAF1 P04049 1/20 0.38
MAPK9 P45984 1/20 0.38
SYK P43405 1/20 0.37
GSK3B P49841 1/20 0.37
ALOX5 P09917 1/20 0.37
GCGR P47871 1/20 0.37
TP53 P04637 1/20 0.36
EGFR P00533 1/20 0.36
MPO P05164 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
SCHEMBL67180 0.93 MAPK14 (0.46) BRAFMAPTMAPK14POLBMAPK13
SCHEMBL67520 0.88 MAPK9 (0.47) BRAFMAPTMAPK14MAPK13MAPK12
SCHEMBL68130 0.87 MAPK14 (0.40) BRAFMAPTMAPK14MAPK13MAPK12
SCHEMBL69812 0.87 BRAF (0.43) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL66711 0.86 BRAF (0.46) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL68785 0.86 MAPK14 (0.44) BRAFMAPTMAPK14MAPK13MAPK12
SCHEMBL68118 0.86 CDK8 (0.42) BRAFMAPTMAPK14POLBMAPK13
SCHEMBL84596 0.86 MAPK14 (0.45) BRAFMAPTMAPK14POLBMAPK13
SCHEMBL66921 0.85 BRAF (0.44) BRAFMAPTMAPK14MAPK13MAPK12
SCHEMBL67128 0.84 MAPK14 (0.46) BRAFMAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP claimed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US claimed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO 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-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
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
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 BRAF 1/4885MAPT 3320/4885MAPK14 484/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885MAPT 4170/4885MAPK14 218/4885

“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.