SCHEMBL68129

SCHEMBL68129

COc1cc(-c2[nH]c(-c3cccc(S(N)(=O)=O)c3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.52
LRRK2 Q5S007 6/20 0.51
NOX1 Q9Y5S8 2/20 0.46
MAPK14 Q16539 4/20 0.45
MAPK13 O15264 2/20 0.45
RAF1 P04049 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
TTK P33981 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
MPO P05164 1/20 0.43
SMPD3 Q9NY59 1/20 0.43
TEK Q02763 1/20 0.43

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
SCHEMBL67505 0.93 ALOX5 (0.62) ALOX5LRRK2NOX1MAPK14MAPK13
SCHEMBL69042 0.90 ALOX5 (0.60) ALOX5LRRK2NOX1MAPK14MAPK13
SCHEMBL68478 0.87 MAPK14 (0.51) ALOX5NOX1MAPK14MAPK13RAF1
SCHEMBL84220 0.85 MAPK14 (0.59) NOX1MAPK14MAPK13RAF1MAPK12
SCHEMBL67025 0.85 MAPK13 (0.61) ALOX5NOX1MAPK14MAPK13RAF1
SCHEMBL68210 0.83 MAPK14 (0.52) ALOX5NOX1MAPK14MAPK13RAF1
SCHEMBL67076 0.83 KDM4E (0.52) ALOX5NOX1MAPK14MAPK13RAF1
SCHEMBL67792 0.83 MAPK14 (0.51) ALOX5NOX1MAPK14MAPK13RAF1
SCHEMBL68074 0.83 RAF1 (0.56) ALOX5NOX1MAPK14MAPK13RAF1
SCHEMBL68221 0.82 MAPK14 (0.50) ALOX5NOX1MAPK14MAPK13RAF1

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 ALOX5 4390/4885LRRK2 490/4885NOX1 1268/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS ALOX5 3656/4885LRRK2 714/4885NOX1 896/4885

“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.