SCHEMBL68402

SCHEMBL68402

COc1cc(-c2[nH]c(-c3ccc(C)cc3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.57
MAPK14 Q16539 13/20 0.56
MAPK13 O15264 9/20 0.56
MAPK12 P53778 9/20 0.56
MAPK11 Q15759 9/20 0.56
GCGR P47871 5/20 0.56
RAF1 P04049 5/20 0.51
ALOX5 P09917 3/20 0.50
CSNK1D P48730 3/20 0.46
MAPK9 P45984 2/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
FRK P42685 1/20 0.46
CSNK1A1 P48729 1/20 0.46
GSK3B P49841 1/20 0.46
PTK6 Q13882 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CSNK1E P49674 2/20 0.46
TEK Q02763 1/20 0.45

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
SCHEMBL67146 0.91 MAPK13 (0.63) SMPD3MAPK14MAPK13MAPK12MAPK11
SCHEMBL67052 0.90 MAPK14 (0.56) SMPD3MAPK14MAPK13MAPK12MAPK11
SCHEMBL67025 0.90 MAPK13 (0.61) SMPD3MAPK14MAPK13MAPK12MAPK11
SCHEMBL67076 0.90 KDM4E (0.52) SMPD3MAPK14MAPK13MAPK12MAPK11
SCHEMBL67015 0.89 MAPK14 (0.57) SMPD3MAPK14MAPK13MAPK12MAPK11
SCHEMBL84220 0.89 MAPK14 (0.59) SMPD3MAPK14MAPK13MAPK12MAPK11
SCHEMBL68619 0.88 MAPK14 (0.58) SMPD3MAPK14MAPK13MAPK12MAPK11
SCHEMBL68107 0.87 ALOX5 (0.49) SMPD3MAPK14MAPK13MAPK12MAPK11
SCHEMBL69090 0.87 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL69042 0.87 ALOX5 (0.60) MAPK14MAPK13MAPK12MAPK11GCGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SMPD3 2818/4885MAPK14 484/4885MAPK13 178/4885

“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.