SCHEMBL84563

SCHEMBL84563

COc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccnc(N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)n2)cnc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.37
MAPK9 P45984 3/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 2/20 0.36
RAF1 P04049 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
BRAF P15056 3/20 0.35
CDK1 P06493 4/20 0.35
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
CDK2 P24941 4/20 0.35
MAPK10 P53779 4/20 0.35
JUN P05412 1/20 0.35
MAPK8 P45983 1/20 0.35
PIK3CD O00329 1/20 0.34
EIF2AK2 P19525 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL87624 1.00 MAP3K11 (0.37) MAP3K11MAPK9MAPK14MAPK13RAF1
SCHEMBL67761 0.91 BRAF (0.44) MAP3K11MAPK9MAPK14MAPK11BRAF
SCHEMBL67762 0.91 BRAF (0.44) MAP3K11MAPK9MAPK14MAPK11BRAF
SCHEMBL91336 0.90 BRAF (0.42) MAPK9MAPK14MAPK11BRAFMAPK10
SCHEMBL68896 0.90 BRAF (0.41) MAPK9MAPK14MAPK11BRAFMAPK10
SCHEMBL68897 0.90 BRAF (0.41) MAPK9MAPK14MAPK11BRAFMAPK10
SCHEMBL69212 0.90 BRAF (0.41) MAPK9MAPK14MAPK11BRAFMAPK10
SCHEMBL87859 0.85 CDK2 (0.45) MAPK9MAPK14MAPK11CDK1CDK4
SCHEMBL67727 0.83 CDK4 (0.48) BRAFCDK1CDK4CCND1CDK2
SCHEMBL69453 0.83 CDK4 (0.48) BRAFCDK1CDK4CCND1CDK2

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 MAP3K11 72/4885MAPK9 425/4885MAPK14 484/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAP3K11 28/4885MAPK9 220/4885MAPK14 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.