SCHEMBL68725

SCHEMBL68725

COc1cc(-c2nc(C3=CCOCC3)[nH]c2-c2ccncc2)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.43
CSNK1E P49674 5/20 0.40
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
RAF1 P04049 2/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
CSNK1D P48730 4/20 0.39
ALOX5 P09917 1/20 0.38
GCGR P47871 1/20 0.38
SMPD3 Q9NY59 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37

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
SCHEMBL69079 0.86 PDGFRB (0.45) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL66641 0.85 PDGFRB (0.42) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL68735 0.84 ALK (0.45) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL69057 0.83 MAPK14 (0.54) MAPK14CSNK1ECSNK1DSMPD3NOX1
SCHEMBL67449 0.80 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL68659 0.78 MAPK13 (0.52) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67192 0.78 MAPK11 (0.64) MAPK14CSNK1EMAPK13MAPK12MAPK11
SCHEMBL68623 0.77 CSNK1A1 (0.44) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL66226 0.77 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL67025 0.76 MAPK13 (0.61) 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 13 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-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-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 484/4885CSNK1E 1110/4885MAPK13 178/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885CSNK1E 606/4885MAPK13 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.