SCHEMBL67052

SCHEMBL67052

COc1cc(-c2[nH]c(-c3ccc(O)cc3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.56
MAPK13 O15264 7/20 0.56
MAPK12 P53778 7/20 0.56
MAPK11 Q15759 7/20 0.56
RAF1 P04049 6/20 0.56
BRAF P15056 5/20 0.56
MAPT P10636 4/20 0.55
ALOX5 P09917 4/20 0.55
GCGR P47871 3/20 0.55
CSNK1D P48730 2/20 0.55
CSNK1E P49674 2/20 0.55
BRDT Q58F21 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CIT O14578 1/20 0.55
GAK O14976 1/20 0.55
RIPK2 O43353 1/20 0.55
BRD4 O60885 1/20 0.55
GMNN O75496 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55

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
SCHEMBL68402 0.90 SMPD3 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67146 0.90 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67025 0.89 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67076 0.89 KDM4E (0.52) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL69090 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67015 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67667 0.87 RAF1 (0.65) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL68619 0.87 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL69042 0.86 ALOX5 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67571 0.85 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11RAF1

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 10 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

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 484/4885MAPK13 178/4885MAPK12 501/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885MAPK13 197/4885MAPK12 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.