SCHEMBL68897

SCHEMBL68897

COc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccnc(NC3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cnc1N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.41
MAPK14 Q16539 3/20 0.39
IKBKB O14920 10/20 0.39
MAPK1 P28482 2/20 0.38
MAPK8 P45983 5/20 0.37
NT5E P21589 1/20 0.37
MAPK9 P45984 3/20 0.36
MAPK10 P53779 3/20 0.36
CHUK O15111 1/20 0.36
MAPK11 Q15759 1/20 0.36
KCNH2 Q12809 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
SCHEMBL69212 1.00 BRAF (0.41) BRAFMAPK14IKBKBMAPK1MAPK8
SCHEMBL68896 1.00 BRAF (0.41) BRAFMAPK14IKBKBMAPK1MAPK8
SCHEMBL67761 0.95 BRAF (0.44) BRAFMAPK14IKBKBMAPK1MAPK8
SCHEMBL67762 0.95 BRAF (0.44) BRAFMAPK14IKBKBMAPK1MAPK8
SCHEMBL91336 0.94 BRAF (0.42) BRAFMAPK14IKBKBMAPK1MAPK8
SCHEMBL84563 0.90 MAP3K11 (0.37) BRAFMAPK14MAPK1MAPK8MAPK9
SCHEMBL87624 0.90 MAP3K11 (0.37) BRAFMAPK14MAPK1MAPK8MAPK9
SCHEMBL13693251 0.82 BRAF (0.43) BRAFMAPK14IKBKBMAPK1MAPK8
SCHEMBL13693458 0.82 BRAF (0.43) BRAFMAPK14IKBKBMAPK1MAPK8
SCHEMBL67727 0.80 CDK4 (0.48) BRAFIKBKBMAPK8

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 4 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-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-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 1/4885MAPK14 484/4885IKBKB 541/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885MAPK14 218/4885IKBKB 345/4885

“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.