SCHEMBL4125843

SCHEMBL4125843

OCCn1ncc(Br)c1-c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.37
CSNK1D P48730 3/20 0.37
MAP4K4 O95819 3/20 0.37
MAPK9 P45984 2/20 0.37
CSNK1A1 P48729 2/20 0.37
MAP4K5 Q9Y4K4 2/20 0.37
PRKD3 O94806 1/20 0.37
FRK P42685 1/20 0.37
GSK3B P49841 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
CDC42BPA Q5VT25 1/20 0.35
AURKB Q96GD4 1/20 0.35
PTGIR P43119 2/20 0.34
ROCK2 O75116 3/20 0.33
ROCK1 Q13464 3/20 0.33
RIPK3 Q9Y572 1/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
MAPK1 P28482 1/20 0.32
CDC7 O00311 1/20 0.32

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
SCHEMBL3490180 0.83 MAPK14 (0.39) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL4128170 0.78 ALDH1A1 (0.36) MAPK14PTGIRCDC7LMNAMAPT
SCHEMBL6076416 0.76 MAPK14 (0.51) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL4137079 0.74 BRAF (0.42) MAPK14GSK3BMAPK1LMNAMAPT
SCHEMBL4133278 0.69 CDC7 (0.40) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL2145771 0.68 BRAF (0.48) MAPK14CSNK1DMAP4K4MAPK9CSNK1A1
SCHEMBL11123830 0.67 PDGFRB (0.43) MAP4K4GSK3BROCK2ROCK1IKBKE
SCHEMBL29972506 0.65 KMO (0.41) GSK3BMAPT
SCHEMBL22613372 0.64
SCHEMBL2416599 0.63 TDO2 (0.37)

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 6 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
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 (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 MAPK14 61/4885CSNK1D 892/4885MAP4K4 45/4885
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF MAPK14 61/4885CSNK1D 892/4885MAP4K4 45/4885

“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.