SCHEMBL9930889

SCHEMBL9930889

CCC(Cc1ccc(OC)cc1)S(=O)(=O)Nc1ccc(F)c(NC(=O)c2sc(C)c3c(NCc4ccc(OC)cc4OC)ncnc23)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.35
BRAF P15056 4/20 0.35
CYP1A2 P05177 8/20 0.34
CYP3A4 P08684 8/20 0.34
CYP2C19 P33261 8/20 0.34
CYP2D6 P10635 7/20 0.34
CLK4 Q9HAZ1 5/20 0.34
AURKA O14965 4/20 0.34
USP2 O75604 3/20 0.34
MAPK1 P28482 3/20 0.34
CYP2C9 P11712 3/20 0.34
LMNA P02545 2/20 0.34
AURKB Q96GD4 2/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 5/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
RPS6KB1 P23443 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL9930743 0.81 CYP1A2 (0.35) KDRBRAFCYP1A2CYP3A4CYP2C19
SCHEMBL9930496 0.79 BRAF (0.39) KDRBRAFCYP3A4CYP2C19AURKA
SCHEMBL9931389 0.77 BRAF (0.46) BRAFCYP2C9
SCHEMBL9930833 0.76 BRAF (0.52) BRAFCYP2C9
SCHEMBL9930535 0.75 BRAF (0.51) BRAFCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9930332 0.73 BRAF (0.53) BRAFCYP2C9
SCHEMBL9930555 0.73 BRAF (0.52) BRAFCYP2C9
SCHEMBL9930340 0.73 BRAF (0.52) BRAFCYP2C9
SCHEMBL9930459 0.73 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL9930607 0.72 MAPT (0.56) CYP1A2CYP3A4CYP2C19CYP2D6CLK4

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 KDR 1277/4885BRAF 1/4885CYP1A2 2189/4885

“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.