SCHEMBL69335

SCHEMBL69335

COc1cc(-c2[nH]c(-c3ccc4[nH]ccc4c3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
MAPK14 Q16539 4/20 0.44
RAF1 P04049 2/20 0.44
ALOX5 P09917 2/20 0.43
GCGR P47871 2/20 0.43
NOX1 Q9Y5S8 1/20 0.43
BRAF P15056 1/20 0.43
MAP3K11 Q16584 2/20 0.43
PRKCQ Q04759 1/20 0.43
ATR Q13535 1/20 0.42
FGFR2 P21802 1/20 0.42
FLT3 P36888 1/20 0.42
LRRK2 Q5S007 1/20 0.42
SMPD3 Q9NY59 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL67076 0.88 KDM4E (0.52) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL66646 0.86 CLK1 (0.47) TLR8MAPK13MAPK12MAPK11MAPK14
SCHEMBL67146 0.85 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL68402 0.85 SMPD3 (0.57) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67571 0.84 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67232 0.84 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67052 0.84 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL68478 0.84 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67025 0.83 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL68107 0.82 ALOX5 (0.49) MAPK13MAPK12MAPK11MAPK14RAF1

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 TLR8 3899/4885TLR7 4161/4885MAPK13 178/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS TLR8 4357/4885TLR7 4372/4885MAPK13 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.