SCHEMBL9967972

SCHEMBL9967972

CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2ncnc3sc4c(c23)CCC4)c1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.59
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 3/20 0.44
MAPK1 P28482 2/20 0.44
KDR P35968 1/20 0.44
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
MAP2K1 Q02750 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL9967973 0.84 BRAF (0.63) BRAFLMNAKMT2AMEN1RAF1
SCHEMBL9932107 0.80 MAPT (0.55) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL9932105 0.79 MAPT (0.54) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL9967971 0.79 BRAF (0.69) BRAFSMN1; SMN2
SCHEMBL9967970 0.76 BRAF (0.66) BRAF
SCHEMBL9967965 0.76 BRAF (0.79) BRAF
SCHEMBL9967980 0.75 BRAF (0.72) BRAF
SCHEMBL9967962 0.75 BRAF (0.77) BRAFKDRRAF1MAP2K1
SCHEMBL1437153 0.74 BRAF (0.87) BRAF
SCHEMBL9967966 0.74 BRAF (1.00) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025947-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO 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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885ALDH1A1 1674/4885LMNA 1519/4885

“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.