SCHEMBL66923

SCHEMBL66923

CCc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccncc2)cnc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 14/20 0.61
MAPK14 Q16539 14/20 0.61
MAPK13 O15264 13/20 0.61
GCGR P47871 13/20 0.61
MAPK12 P53778 13/20 0.61
ALOX5 P09917 12/20 0.61
CSNK1A1 P48729 5/20 0.60
CSNK1D P48730 5/20 0.60
PRKD3 O94806 4/20 0.60
MAP4K4 O95819 4/20 0.60
FRK P42685 4/20 0.60
MAPK9 P45984 4/20 0.60
GSK3B P49841 4/20 0.60
PTK6 Q13882 3/20 0.60
PRKD2 Q9BZL6 3/20 0.60
CLK4 Q9HAZ1 3/20 0.60
ALDH1A1 P00352 3/20 0.55
CSNK1E P49674 3/20 0.55
CSNK1A1L Q8N752 3/20 0.55
PRKACA P17612 3/20 0.55

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
SCHEMBL67376 0.86 ALOX5 (0.65) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL68193 0.85 MAPK14 (0.67) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL67577 0.83 MAPK11 (0.58) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL67192 0.79 MAPK11 (0.64) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL2649680 0.78 MAPK11 (0.79) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL15075603 0.77 MAPK11 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL19868925 0.77 MAPK11 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL7991357 0.77 MAPK11 (0.65) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL2648969 0.76 MAPK13 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL6469880 0.76 MAPK13 (1.00) MAPK11MAPK14MAPK13GCGRMAPK12

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 11 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-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
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO 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 MAPK11 362/4885MAPK14 484/4885MAPK13 178/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK11 186/4885MAPK14 218/4885MAPK13 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.