SCHEMBL69591

SCHEMBL69591

COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccnc(F)c2)cnc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.51
MAPK13 O15264 13/20 0.51
MAPK12 P53778 13/20 0.51
MAPK11 Q15759 13/20 0.51
GCGR P47871 10/20 0.50
ALOX5 P09917 7/20 0.50
PRKD3 O94806 2/20 0.46
MAP4K4 O95819 2/20 0.46
FRK P42685 2/20 0.46
MAPK9 P45984 2/20 0.46
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
GSK3B P49841 2/20 0.46
PRKD2 Q9BZL6 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
PTK6 Q13882 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 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
SCHEMBL13693260 0.92 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL67121 0.91 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL67192 0.90 MAPK11 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL69575 0.88 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL67437 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL68110 0.83 FYN (0.46) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL69109 0.82 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL85078 0.82 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL68659 0.81 MAPK13 (0.52) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL67680 0.81 SMPD3 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK9

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 12 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-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-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 MAPK14 484/4885MAPK13 178/4885MAPK12 501/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885MAPK13 197/4885MAPK12 353/4885

“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.