SCHEMBL1492006

SCHEMBL1492006

CCCS(=O)(=O)Nc1cccc(N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.47
SLC22A12 Q96S37 1/20 0.43
PARP14 Q460N5 1/20 0.41
PGR P06401 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNA5 P22460 1/20 0.38
BRD4 O60885 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PTGS1 P23219 1/20 0.37
PSIP1 O75475 1/20 0.36
RIPK2 O43353 1/20 0.36
NOD2 Q9HC29 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL5516052 0.84 BRAF (0.51) BRAFSLC22A12PARP14PGRCYP3A4
SCHEMBL22831994 0.83 BRAF (0.47) BRAFSLC22A12PARP14PGRCYP3A4
SCHEMBL29562253 0.83 BRAF (0.47) BRAFSLC22A12PARP14PGRCYP3A4
SCHEMBL9930971 0.81 KCNA5 (0.46) BRAFSLC22A12PARP14KCNA5BRD4
SCHEMBL23497622 0.79 HSP90AA1 (0.35) BRAFSLC22A12
SCHEMBL29787376 0.79 HSP90AA1 (0.35) BRAFSLC22A12
SCHEMBL2413576 0.79 CA2 (0.43) SLC22A12CYP2C9
SCHEMBL1462112 0.78 BRAF (0.48) BRAFSLC22A12PGRCYP3A4CYP2C9
SCHEMBL1462141 0.78 CYP3A4 (0.52) BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL1492017 0.78 BRAF (0.47) 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 16 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
CN-102712646-A RAF inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2012-10-03 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-2493865-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-09-05 EP 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 1/4885SLC22A12 2402/4885PARP14 2953/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885SLC22A12 2402/4885PARP14 2953/4885

“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.