SCHEMBL91336

SCHEMBL91336

COc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccnc(N[C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cnc1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.42
IKBKB O14920 10/20 0.38
MAPK8 P45983 2/20 0.38
MAPK1 P28482 5/20 0.38
USP2 O75604 1/20 0.38
NT5E P21589 1/20 0.38
MAPK14 Q16539 2/20 0.36
CHUK O15111 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPK11 Q15759 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
SCHEMBL67762 0.96 BRAF (0.44) BRAFIKBKBMAPK8MAPK1NT5E
SCHEMBL67761 0.96 BRAF (0.44) BRAFIKBKBMAPK8MAPK1NT5E
SCHEMBL68896 0.94 BRAF (0.41) BRAFIKBKBMAPK8MAPK1NT5E
SCHEMBL68897 0.94 BRAF (0.41) BRAFIKBKBMAPK8MAPK1NT5E
SCHEMBL69212 0.94 BRAF (0.41) BRAFIKBKBMAPK8MAPK1NT5E
SCHEMBL84563 0.90 MAP3K11 (0.37) BRAFMAPK8MAPK1MAPK14MAPK9
SCHEMBL87624 0.90 MAP3K11 (0.37) BRAFMAPK8MAPK1MAPK14MAPK9
SCHEMBL69453 0.80 CDK4 (0.48) BRAFIKBKBMAPK8
SCHEMBL67727 0.80 CDK4 (0.48) BRAFIKBKBMAPK8
SCHEMBL67728 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1/4885IKBKB 541/4885MAPK8 181/4885

“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.