SCHEMBL9930496

SCHEMBL9930496

CCNc1ncnc2c(C(=O)Nc3c(F)ccc(NS(=O)(=O)C(CC)Cc4ccc(OC)cc4)c3F)snc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.39
AURKA O14965 5/20 0.33
ERN1 O75460 2/20 0.33
AURKB Q96GD4 2/20 0.33
RPS6KB1 P23443 2/20 0.33
KDR P35968 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9931389 0.90 BRAF (0.46) BRAFERN1
SCHEMBL9930833 0.81 BRAF (0.52) BRAFERN1
SCHEMBL10251286 0.81 BRAF (0.57) BRAF
SCHEMBL9930889 0.79 KDR (0.35) BRAFAURKAAURKBRPS6KB1KDR
SCHEMBL9930332 0.79 BRAF (0.53) BRAFERN1
SCHEMBL9930555 0.79 BRAF (0.52) BRAFERN1
SCHEMBL9930340 0.79 BRAF (0.52) BRAFERN1
SCHEMBL9930122 0.78 BRAF (0.51) BRAFERN1
SCHEMBL9930497 0.77 BRAF (0.35) BRAFAURKAAURKBRPS6KB1
SCHEMBL9930675 0.74 BRAF (0.53) BRAFERN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885AURKA 1013/4885ERN1 185/4885

“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.