SCHEMBL66921

SCHEMBL66921

CCNc1nccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2cnc(N)c(OC)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.44
PDPK1 O15530 1/20 0.44
MAPK14 Q16539 11/20 0.42
MAPK13 O15264 5/20 0.42
MAPK12 P53778 5/20 0.42
MAPK11 Q15759 5/20 0.42
RAF1 P04049 1/20 0.42
MAPK9 P45984 1/20 0.42
GCGR P47871 4/20 0.40
ALOX5 P09917 3/20 0.40
FYN P06241 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL69812 0.93 BRAF (0.43) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL67520 0.91 MAPK9 (0.47) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL68785 0.89 MAPK14 (0.44) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL67696 0.89 MAPK9 (0.44) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL67352 0.88 MAPK14 (0.44) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL67351 0.88 MAPK14 (0.44) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL68138 0.88 MAPK14 (0.44) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL68361 0.85 BRAF (0.40) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL69317 0.85 EIF2AK2 (0.43) MAPK14MAPK9KDM4EALDH1A1MAPT
SCHEMBL67132 0.84 FYN (0.44) BRAFMAPK14MAPK13MAPK12MAPK11

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 BRAF 1/4885PDPK1 253/4885MAPK14 484/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885PDPK1 94/4885MAPK14 218/4885

“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.