SCHEMBL68659

SCHEMBL68659

COc1cc(-c2nc(-c3cc(F)cc(F)c3)[nH]c2-c2ccncc2)cnc1N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.52
MAPK12 P53778 12/20 0.52
MAPK11 Q15759 12/20 0.52
MAPK14 Q16539 12/20 0.52
GCGR P47871 8/20 0.52
ALOX5 P09917 6/20 0.52
RAF1 P04049 3/20 0.51
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
FRK P42685 1/20 0.48
MAPK9 P45984 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
GSK3B P49841 1/20 0.48
PTK6 Q13882 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
SMPD3 Q9NY59 3/20 0.46
NOX1 Q9Y5S8 1/20 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
SCHEMBL67192 0.92 MAPK11 (0.64) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67449 0.87 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL66226 0.85 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL69343 0.84 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67232 0.83 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67571 0.83 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67231 0.83 MAPK14 (0.53) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67025 0.83 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67076 0.83 KDM4E (0.52) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL67174 0.82 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14GCGR

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 178/4885MAPK12 501/4885MAPK11 362/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK13 197/4885MAPK12 353/4885MAPK11 186/4885

“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.