SCHEMBL4138280

SCHEMBL4138280

CC(=O)OCCn1cc(Br)c(-c2ccncc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
BRAF P15056 2/20 0.39
MAPK3 P27361 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
FRK P42685 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1D P48730 1/20 0.36
SLK Q9H2G2 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34

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
SCHEMBL16510860 0.79 BRAF (0.38) MAPK1BRAFMAPK3MAP4K4EGFR
SCHEMBL2145771 0.78 BRAF (0.48) MAPK1BRAFMAPK3MAP4K4FRK
SCHEMBL27716481 0.77 MAPK14 (0.48) MAPK1NPSR1ALDH1A1HPGDMEN1
SCHEMBL12684917 0.74 MAPK1 (0.44) MAPK1BRAFMAPK3NPSR1CSNK1D
SCHEMBL31111573 0.73 DGAT1 (0.37) MAPK1BRAFMAPK3NPSR1MAP4K4
SCHEMBL4128170 0.72 ALDH1A1 (0.36) NPSR1ALDH1A1HPGDMEN1CYP1A2
SCHEMBL4128565 0.69 MAPK13 (0.54) MAPK1BRAFMAPK3MAP4K4EGFR
SCHEMBL1554556 0.68 CSNK1D (0.44) MAPK1BRAFMAPK3MAP4K4EGFR
SCHEMBL23115799 0.66 ALDH1A1 (0.41) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27167896 0.66 ALDH1A1 (0.41) MAPK1ALDH1A1HPGDKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20060189627-A1 RAF inhibitor compounds and methods BRAF, RAF1, ARAF MAPK1 57/4885BRAF 1/4885MAPK3 55/4885
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF MAPK1 57/4885BRAF 1/4885MAPK3 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.