SCHEMBL84568

SCHEMBL84568

COc1cc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccnc(NCCNS(=O)(=O)C3CC3)n2)cnc1N

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.41
BRAF P15056 15/20 0.41
EGFR P00533 1/20 0.38
RAF1 P04049 2/20 0.38

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
SCHEMBL84613 0.93 BRAF (0.44) MAPK14BRAFRAF1
SCHEMBL69812 0.86 BRAF (0.43) MAPK14BRAFRAF1
SCHEMBL67696 0.85 MAPK9 (0.44) MAPK14BRAFRAF1
SCHEMBL67520 0.85 MAPK9 (0.47) MAPK14BRAFRAF1
SCHEMBL84214 0.85 CDK4 (0.40) MAPK14
SCHEMBL66921 0.84 BRAF (0.44) MAPK14BRAFRAF1
SCHEMBL68785 0.83 MAPK14 (0.44) MAPK14BRAFEGFRRAF1
SCHEMBL84787 0.83 BRAF (0.46) MAPK14BRAFRAF1
SCHEMBL68361 0.83 BRAF (0.40) MAPK14BRAFEGFRRAF1
SCHEMBL87859 0.82 CDK2 (0.45) MAPK14EGFR

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 8 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-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 MAPK14 484/4885BRAF 1/4885EGFR 197/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885BRAF 1/4885EGFR 782/4885

“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.