SCHEMBL67602

SCHEMBL67602

COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NC3CC3)n2)cnc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.52
MAPK9 P45984 6/20 0.52
MAPK13 O15264 4/20 0.52
RAF1 P04049 4/20 0.52
MAPK12 P53778 4/20 0.52
MAPK11 Q15759 4/20 0.52
BRAF P15056 4/20 0.42
NOX1 Q9Y5S8 2/20 0.41
SMPD3 Q9NY59 1/20 0.41
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
EIF2AK2 P19525 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL68793 0.88 MAPK14 (0.68) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL67820 0.84 MAPK13 (0.67) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL69017 0.84 CDK7 (0.46) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL69016 0.84 CDK7 (0.46) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL68701 0.83 MAPK14 (0.56) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL69401 0.82 MAPK13 (0.53) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL67829 0.82 BRAF (0.62) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL68576 0.82 BRAF (0.62) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL67828 0.82 BRAF (0.62) MAPK14MAPK9MAPK13RAF1MAPK12
SCHEMBL69317 0.81 EIF2AK2 (0.43) MAPK14MAPK9AURKBEIF2AK2CDK1

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 MAPK14 484/4885MAPK9 425/4885MAPK13 178/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885MAPK9 220/4885MAPK13 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.