SCHEMBL66952

SCHEMBL66952

COc1cc(-c2[nH]c(-c3ccccc3C)nc2-c2ccncc2)cnc1N

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.59
ALOX5 P09917 1/20 0.46
MAPK14 Q16539 5/20 0.46
MAPK13 O15264 3/20 0.46
RAF1 P04049 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
CSNK1D P48730 2/20 0.44
CSNK1E P49674 2/20 0.44
NOX1 Q9Y5S8 2/20 0.44
SMPD3 Q9NY59 1/20 0.44
MAPK9 P45984 1/20 0.43

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
SCHEMBL67977 0.89 TEK (0.60) TEKALOX5MAPK14MAPK13RAF1
SCHEMBL66928 0.89 TEK (0.60) TEKALOX5MAPK14MAPK13RAF1
SCHEMBL68844 0.88 MAPK14 (0.48) TEKALOX5MAPK14MAPK13MAPK12
SCHEMBL67025 0.87 MAPK13 (0.61) ALOX5MAPK14MAPK13RAF1MAPK12
SCHEMBL67988 0.86 TEK (0.62) TEKALOX5MAPK14MAPK13RAF1
SCHEMBL67834 0.86 TEK (0.47) TEKALOX5MAPK14MAPK13RAF1
SCHEMBL84669 0.85 TEK (0.43) TEKALOX5MAPK14MAPK13RAF1
SCHEMBL68402 0.84 SMPD3 (0.57) TEKALOX5MAPK14MAPK13RAF1
SCHEMBL84220 0.84 MAPK14 (0.59) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL68128 0.84 MAPK14 (0.45) TEKALOX5MAPK14MAPK13RAF1

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 9 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-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 TEK 1601/4885ALOX5 4390/4885MAPK14 484/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS TEK 3552/4885ALOX5 3656/4885MAPK14 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.