SCHEMBL68576

SCHEMBL68576

COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NC[C@@H](C)O)n2)cnc1N

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.62
MAPK14 Q16539 7/20 0.54
MAPK13 O15264 3/20 0.54
RAF1 P04049 3/20 0.54
MAPK9 P45984 3/20 0.54
MAPK12 P53778 3/20 0.54
MAPK11 Q15759 3/20 0.54
NOX1 Q9Y5S8 2/20 0.41
SMPD3 Q9NY59 1/20 0.41
MPO P05164 1/20 0.40

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
SCHEMBL67828 1.00 BRAF (0.62) BRAFMAPK14MAPK13RAF1MAPK9
SCHEMBL67829 1.00 BRAF (0.62) BRAFMAPK14MAPK13RAF1MAPK9
SCHEMBL68701 0.88 MAPK14 (0.56) BRAFMAPK14MAPK13RAF1MAPK9
SCHEMBL68793 0.86 MAPK14 (0.68) BRAFMAPK14MAPK13RAF1MAPK9
SCHEMBL67331 0.86 BRAF (0.63) BRAF
SCHEMBL67330 0.86 BRAF (0.63) BRAF
SCHEMBL69636 0.85 BRAF (0.52) BRAFMAPK14MAPK13RAF1MAPK9
SCHEMBL13693370 0.84 BRAF (0.51) BRAFMAPK14MAPK13RAF1MAPK9
SCHEMBL67820 0.84 MAPK13 (0.67) BRAFMAPK14MAPK13RAF1MAPK9
SCHEMBL68941 0.83 MAPK14 (0.50) BRAFMAPK14MAPK13RAF1MAPK9

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 BRAF 1/4885MAPK14 484/4885MAPK13 178/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885MAPK14 218/4885MAPK13 197/4885

“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.