SCHEMBL69401

SCHEMBL69401

COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(N(C)C)n2)cnc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.53
RAF1 P04049 6/20 0.53
MAPK12 P53778 6/20 0.53
MAPK11 Q15759 6/20 0.53
MAPK14 Q16539 6/20 0.53
MAPK9 P45984 4/20 0.53
BRAF P15056 1/20 0.46
NOX1 Q9Y5S8 3/20 0.46
SMPD3 Q9NY59 2/20 0.46
MAPT P10636 7/20 0.42
TP53 P04637 3/20 0.42
THRB P10828 1/20 0.42
MPO P05164 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL67820 0.90 MAPK13 (0.67) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL68793 0.86 MAPK14 (0.68) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL68940 0.85 MAPK13 (0.64) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL67680 0.82 SMPD3 (0.51) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL67602 0.82 MAPK14 (0.52) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL67449 0.82 MAPK14 (0.61) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL68701 0.82 MAPK14 (0.56) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL67817 0.82 NOX1 (0.50) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL68576 0.80 BRAF (0.62) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL67829 0.80 BRAF (0.62) MAPK13RAF1MAPK12MAPK11MAPK14

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 MAPK13 178/4885RAF1 4/4885MAPK12 501/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK13 197/4885RAF1 2/4885MAPK12 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.