SCHEMBL1492017

SCHEMBL1492017

CCCS(=O)(=O)Nc1cccc(N)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.47
PARP14 Q460N5 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS1 P23219 2/20 0.40
KCNA5 P22460 1/20 0.40
PTGS2 P35354 1/20 0.40
BRD4 O60885 1/20 0.40
PSIP1 O75475 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PTGES2 Q9H7Z7 2/20 0.39
ADRA1A P35348 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22832081 0.82 BRAF (0.48) BRAFPARP14CYP2C9PSIP1PTGES2
SCHEMBL1462060 0.81 CYP3A4 (0.55) BRAFPARP14CYP3A4CYP2C9CYP2C19
SCHEMBL6524486 0.81 BRAF (0.45) BRAFPARP14CYP3A4CYP2C9CYP2C19
SCHEMBL9931267 0.80 ALDH1A1 (0.50) BRAFPARP14KCNA5BRD4SMN1; SMN2
SCHEMBL4090066 0.78 KEAP1 (0.50) BRAFPTGS1PTGS2SMN1; SMN2
SCHEMBL1461774 0.78 BRAF (0.45) BRAFCYP3A4CYP2C9CYP2C19PTGS1
SCHEMBL20399258 0.78 KCNA5 (0.52) BRAFKCNA5
SCHEMBL13602434 0.78 KCNA5 (0.49) BRAFPARP14CYP3A4CYP2C9CYP2C19
SCHEMBL1492006 0.78 BRAF (0.47) BRAFPARP14CYP3A4CYP2C9CYP2C19
SCHEMBL13689864 0.77 KCNA5 (0.45) BRAFPARP14CYP3A4CYP2C9CYP2C19

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 14 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 claimed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
CN-102858754-A RAF inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2013-01-02 CN disclosed
WO-2012118492-A1 HETEROCYCLIC SULFONAMIDES AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO disclosed
WO-2012118492-A1 HETEROCYCLIC SULFONAMIDES AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO disclosed
EP-2470538-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025938-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed
WO-2011025940-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed
WO-2011025940-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 (2 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 1/4885PARP14 2953/4885CYP3A4 2785/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885PARP14 2953/4885CYP3A4 2785/4885

“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.