SCHEMBL68138

SCHEMBL68138

CC[C@H](C)Nc1nccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2cnc(N)c(OC)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.44
BRAF P15056 2/20 0.42
MAPK13 O15264 7/20 0.41
MAPK12 P53778 7/20 0.41
MAPK11 Q15759 7/20 0.41
GCGR P47871 2/20 0.38
ALOX5 P09917 1/20 0.38
RAF1 P04049 1/20 0.36
MAPK9 P45984 1/20 0.36
FYN P06241 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL67351 1.00 MAPK14 (0.44) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL67352 1.00 MAPK14 (0.44) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL66921 0.88 BRAF (0.44) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL69812 0.87 BRAF (0.43) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL69405 0.85 BRAF (0.44) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL67520 0.84 MAPK9 (0.47) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL67696 0.83 MAPK9 (0.44) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL68785 0.83 MAPK14 (0.44) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL69317 0.82 EIF2AK2 (0.43) MAPK14MAPK9ALK
SCHEMBL67132 0.82 FYN (0.44) MAPK14BRAFMAPK13MAPK12MAPK11

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 10 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

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 484/4885BRAF 1/4885MAPK13 178/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885BRAF 1/4885MAPK13 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.