SCHEMBL70235

SCHEMBL70235

COCC(=O)NCCNc1nccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2cnc3[nH]cc(Cl)c3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SPR P35270 1/20 0.38
MAPK14 Q16539 7/20 0.37
MAPK13 O15264 4/20 0.37
MAPK12 P53778 4/20 0.37
MAPK11 Q15759 4/20 0.37
BTK Q06187 3/20 0.37
ITK Q08881 3/20 0.37
ALOX5 P09917 1/20 0.36
GCGR P47871 1/20 0.36
RAF1 P04049 1/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL67221 0.92 SPR (0.38) BRAFTP53MAPTSPRMAPK14
SCHEMBL68118 0.87 CDK8 (0.42) BRAFTP53MAPTSPRMAPK14
SCHEMBL68361 0.83 BRAF (0.40) BRAFTP53MAPTMAPK14MAPK13
SCHEMBL68130 0.78 MAPK14 (0.40) BRAFTP53MAPTMAPK14MAPK13
SCHEMBL68182 0.77 TLR8 (0.38) BRAFTP53MAPTMAPK14MAPK13
SCHEMBL13693148 0.77 MAPK14 (0.37) BRAFTP53MAPTMAPK14MAPK13
SCHEMBL67180 0.76 MAPK14 (0.46) BRAFMAPTMAPK14MAPK13MAPK12
SCHEMBL66986 0.72 MAPK13 (0.60) BRAFMAPTMAPK14MAPK13MAPK12
SCHEMBL13693286 0.71 MAPK14 (0.37) BRAFTP53MAPTMAPK14MAPK13
SCHEMBL67520 0.70 MAPK9 (0.47) BRAFMAPTMAPK14MAPK13MAPK12

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 1/4885TP53 13/4885MAPT 3320/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885TP53 64/4885MAPT 4170/4885

“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.