SCHEMBL68174

SCHEMBL68174

COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NC(C)=O)c2)cnc1N

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.49
GSK3B P49841 3/20 0.49
PIK3CA P42336 2/20 0.48
TGFBR1 P36897 2/20 0.47
TGFBR2 P37173 1/20 0.47
MPO P05164 1/20 0.46
NOX1 Q9Y5S8 2/20 0.46
SMPD3 Q9NY59 1/20 0.46
PIK3C3 Q8NEB9 8/20 0.46

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
SCHEMBL67680 0.84 SMPD3 (0.51) MAPK14MPONOX1SMPD3
SCHEMBL67817 0.83 NOX1 (0.50) MAPK14MPONOX1SMPD3
SCHEMBL67449 0.82 MAPK14 (0.61) MAPK14NOX1SMPD3
SCHEMBL67025 0.80 MAPK13 (0.61) MAPK14MPONOX1SMPD3
SCHEMBL67820 0.77 MAPK13 (0.67) MAPK14MPONOX1SMPD3
SCHEMBL68793 0.76 MAPK14 (0.68) MAPK14MPONOX1SMPD3
SCHEMBL67128 0.76 MAPK14 (0.46) MAPK14PIK3CAMPONOX1SMPD3
SCHEMBL69401 0.76 MAPK13 (0.53) MAPK14MPONOX1SMPD3
SCHEMBL68940 0.74 MAPK13 (0.64) MAPK14MPONOX1SMPD3
SCHEMBL13693260 0.74 MAPK14 (0.50) MAPK14GSK3B

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 484/4885GSK3B 1075/4885PIK3CA 30/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885GSK3B 745/4885PIK3CA 45/4885

“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.