SCHEMBL14865883

SCHEMBL14865883

CCCS(=O)(=O)Nc1cccc(-c2nc(C(C)(C)C)sc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.74
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL9987496 0.92 BRAF (0.66) BRAF
SCHEMBL9987495 0.92 BRAF (0.66) BRAF
SCHEMBL14865884 0.92 BRAF (0.72) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL16266456 0.90 BRAF (0.61) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL12669636 0.89 BRAF (0.58) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL12669230 0.89 BRAF (0.58) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL24257038 0.89 BRAF (0.68) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL16266520 0.88 BRAF (0.74) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL12072967 0.88 BRAF (0.75) BRAF
SCHEMBL16266525 0.87 BRAF (0.70) BRAFHDAC3HDAC1HDAC7HDAC2

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-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
US-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-18 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-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF BRAF 1/4885HDAC3 1149/4885HDAC1 1013/4885

“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.