SCHEMBL69042

SCHEMBL69042

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.60
TEK Q02763 4/20 0.52
MAPK14 Q16539 8/20 0.49
MAPK11 Q15759 6/20 0.49
ALDH1A1 P00352 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CSNK1A1L Q8N752 1/20 0.49
MAPK13 O15264 5/20 0.47
MAPK12 P53778 5/20 0.47
RAF1 P04049 3/20 0.47
GCGR P47871 3/20 0.46
NOX1 Q9Y5S8 1/20 0.43
LRRK2 Q5S007 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
SCHEMBL68129 0.90 ALOX5 (0.52) ALOX5TEKMAPK14MAPK11MAPK13
SCHEMBL68402 0.87 SMPD3 (0.57) ALOX5TEKMAPK14MAPK11CSNK1A1
SCHEMBL67146 0.87 MAPK13 (0.63) ALOX5TEKMAPK14MAPK11ALDH1A1
SCHEMBL67052 0.86 MAPK14 (0.56) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
SCHEMBL67076 0.86 KDM4E (0.52) ALOX5MAPK14MAPK11ALDH1A1CSNK1A1
SCHEMBL67025 0.86 MAPK13 (0.61) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL69090 0.84 MAPK14 (0.57) ALOX5MAPK14MAPK11CSNK1DCSNK1E
SCHEMBL67015 0.84 MAPK14 (0.57) ALOX5TEKMAPK14MAPK11CSNK1A1
SCHEMBL67505 0.84 ALOX5 (0.62) ALOX5TEKMAPK14MAPK11ALDH1A1
SCHEMBL67667 0.83 RAF1 (0.65) ALOX5MAPK14MAPK11ALDH1A1CSNK1D

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 ALOX5 4390/4885TEK 1601/4885MAPK14 484/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS ALOX5 3656/4885TEK 3552/4885MAPK14 218/4885

“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.