SCHEMBL67374

SCHEMBL67374

COc1cc(-c2[nH]c(-c3cc(C(=O)N(C)C)ccc3F)nc2-c2ccncc2)cnc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.44
ALOX5 P09917 5/20 0.44
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 3/20 0.44
GCGR P47871 2/20 0.44
TEK Q02763 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ATR Q13535 3/20 0.41
RAF1 P04049 1/20 0.40
TGFBR1 P36897 1/20 0.40
FYN P06241 1/20 0.40
MAP4K1 Q92918 1/20 0.40
CSNK1D P48730 3/20 0.39
CSNK1E P49674 3/20 0.39
ALOX5AP P20292 1/20 0.39
NEK2 P51955 1/20 0.38

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
SCHEMBL70029 0.85 MAPK14 (0.49) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL66928 0.83 TEK (0.60) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL67174 0.81 MAPK14 (0.50) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL67554 0.81 TEK (0.46) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL69090 0.80 MAPK14 (0.57) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL67571 0.80 MAPK13 (0.50) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL69075 0.79 MAPK14 (0.49) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL67667 0.79 RAF1 (0.65) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL68107 0.78 ALOX5 (0.49) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL67834 0.78 TEK (0.47) MAPK14ALOX5MAPK13MAPK12MAPK11

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 8 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

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 484/4885ALOX5 4390/4885MAPK13 178/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885ALOX5 3656/4885MAPK13 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.