SCHEMBL1461840

SCHEMBL1461840

COc1ccc(CNc2ncnc3c(C(=O)Nc4c(F)ccc(NS(=O)(=O)N5CCCC5)c4F)cccc23)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.53
ERN1 O75460 2/20 0.53
AURKA O14965 13/20 0.48
RPS6KB1 P23443 7/20 0.48
AURKB Q96GD4 8/20 0.47
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL1460990 0.78 ERN1 (0.84) BRAFERN1
SCHEMBL1461792 0.77 AURKA (0.53) BRAFAURKARPS6KB1AURKBUSP2
SCHEMBL1463027 0.77 BRAF (0.49) BRAFERN1AURKARPS6KB1AURKB
SCHEMBL25377182 0.76 RAF1 (0.48) BRAFAURKARPS6KB1AURKBMAPT
SCHEMBL29638593 0.76 RAF1 (0.48) BRAFAURKARPS6KB1AURKBMAPT
SCHEMBL1461787 0.75 AURKA (0.71) AURKARPS6KB1AURKBUSP2LMNA
SCHEMBL30401701 0.75 AURKA (0.71) AURKARPS6KB1AURKBUSP2LMNA
SCHEMBL9930535 0.75 BRAF (0.51) BRAFUSP2LMNACYP1A2CYP3A4
SCHEMBL9930354 0.75 BRAF (0.49) BRAFERN1AURKARPS6KB1AURKB
SCHEMBL24399693 0.75 AURKA (0.49) BRAFAURKARPS6KB1AURKBMAPT

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-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
EP-2493865-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-09-05 EP disclosed
WO-2011025938-A2 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-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885ERN1 185/4885AURKA 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.