SCHEMBL66646

SCHEMBL66646

COc1cc(-c2[nH]c(-c3ccc4[nH]ncc4c3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.47
TLR8 Q9NR97 1/20 0.47
FLT3 P36888 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 3/20 0.42
SMPD3 Q9NY59 2/20 0.42
ATR Q13535 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
MPO P05164 1/20 0.41
TEK Q02763 2/20 0.41
PIK3CA P42336 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
SCHEMBL69335 0.86 TLR8 (0.45) TLR8FLT3MAPK13MAPK12MAPK11
SCHEMBL68402 0.85 SMPD3 (0.57) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67146 0.85 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67232 0.84 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67571 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 CLK1 681/4885TLR8 3899/4885FLT3 56/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CLK1 596/4885TLR8 4357/4885FLT3 261/4885

“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.