SCHEMBL2145771

SCHEMBL2145771

OCCn1cc(Br)c(-c2ccncc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.48
CSNK1D P48730 6/20 0.47
MAPK3 P27361 5/20 0.47
MAPK1 P28482 5/20 0.47
MAP4K4 O95819 4/20 0.47
CSNK1E P49674 3/20 0.47
BMPR1B O00238 2/20 0.47
CIT O14578 2/20 0.47
RIPK2 O43353 2/20 0.47
STK10 O94804 2/20 0.47
ABL1 P00519 2/20 0.47
RAF1 P04049 2/20 0.47
ERBB3 P21860 2/20 0.47
JAK1 P23458 2/20 0.47
ACVR1B P36896 2/20 0.47
TGFBR1 P36897 2/20 0.47
MAPK10 P53779 2/20 0.47
MAP2K5 Q13163 2/20 0.47
MAP3K19 Q56UN5 2/20 0.47
MINK1 Q8N4C8 2/20 0.47

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
SCHEMBL12684917 0.80 MAPK1 (0.44) BRAFCSNK1DMAPK3MAPK1CSNK1E
SCHEMBL27716525 0.78 PTGIR (0.58) BRAFCSNK1DMAPK3MAPK1MAP4K4
SCHEMBL14519366 0.78 PTGIR (0.58) BRAFCSNK1DMAPK3MAPK1MAP4K4
SCHEMBL4138280 0.78 MAPK1 (0.39) BRAFCSNK1DMAPK3MAPK1MAP4K4
SCHEMBL17088198 0.77 BRAF (0.60) BRAFCSNK1DMAPK3MAPK1MAP4K4
SCHEMBL16510860 0.77 BRAF (0.38) BRAFCSNK1DMAPK3MAPK1MAP4K4
SCHEMBL1892201 0.76 CSNK1D (0.65) BRAFCSNK1DMAPK3MAPK1MAP4K4
SCHEMBL6077523 0.76 CSNK1D (0.65) BRAFCSNK1DMAPK3MAPK1MAP4K4
SCHEMBL17088200 0.76 MEN1 (0.62) BRAFCSNK1DMAPK3MAPK1MAP4K4
SCHEMBL12461278 0.75 BRAF (0.54) BRAFCSNK1DMAPK3MAPK1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 US disclosed
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 US disclosed
CN-101282960-A RAF inhibitor compounds and methods GENENTECH INC (US) 2008-10-08 CN disclosed
EP-1846391-A2 RAF INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2007-10-24 EP disclosed
US-20060189627-A1 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. 2006-08-24 US disclosed
WO-2006084015-A2 RAF INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2006-08-10 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 (3 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-20130040983-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF BRAF 1/4885CSNK1D 531/4885MAPK3 49/4885
US-20060189627-A1 RAF inhibitor compounds and methods BRAF, RAF1, ARAF BRAF 1/4885CSNK1D 892/4885MAPK3 55/4885
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF BRAF 1/4885CSNK1D 892/4885MAPK3 55/4885

“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.