SCHEMBL14865884

SCHEMBL14865884

COC(=O)N[C@@H](C)CNc1nccc(-c2sc(C(C)(C)C)nc2-c2cccc(NS(C)(=O)=O)c2F)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.72
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
PGRMC1 O00264 1/20 0.57
RIPK2 O43353 1/20 0.57
NR1I2 O75469 1/20 0.57
CDK4 P11802 1/20 0.57
CHRM3 P20309 1/20 0.57
CCKBR P32239 1/20 0.57
OPRK1 P41145 1/20 0.57
HTR2B P41595 1/20 0.57
MAPK8 P45983 1/20 0.57
MAPK9 P45984 1/20 0.57
CSNK1A1 P48729 1/20 0.57
MAPKAPK2 P49137 1/20 0.57
PCYT1A P49585 1/20 0.57
GSK3A P49840 1/20 0.57

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
SCHEMBL16266520 0.92 BRAF (0.74) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL14865883 0.92 BRAF (0.74) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL24257038 0.92 BRAF (0.68) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL14865997 0.91 BRAF (0.65) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL16266525 0.91 BRAF (0.70) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL16266450 0.91 BRAF (0.70) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL16266456 0.91 BRAF (0.61) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL16266524 0.91 BRAF (0.70) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL16266379 0.90 BRAF (0.59) BRAFHDAC3HDAC1HDAC7HDAC2
SCHEMBL30464229 0.90 BRAF (0.59) 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.