SCHEMBL5414747

SCHEMBL5414747

O=C1CCc2cc(-c3nc(-c4ccc(OCCN5CCOCC5)cc4)[nH]c3-c3ccncc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.54
RAF1 P04049 1/20 0.54
ACHE P22303 2/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
ALOX5 P09917 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
TBK1 Q9UHD2 1/20 0.46
PRKAB2 O43741 1/20 0.44
LCK P06239 1/20 0.44
BMP4 P12644 1/20 0.44
SRC P12931 1/20 0.44
FLT1 P17948 1/20 0.44
EPHA2 P29317 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
PRKAG1 P54619 1/20 0.44

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
SCHEMBL5414278 0.88 BRAF (0.71) BRAFRAF1ACHEALOX5
SCHEMBL5414284 0.88 BRAF (0.71) BRAFRAF1ACHEALOX5
SCHEMBL5410350 0.87 BRAF (0.60) BRAFRAF1ACHEADORA3ADORA2A
SCHEMBL5410796 0.82 BRAF (0.77) BRAFRAF1ALOX5
SCHEMBL5402908 0.81 BRAF (0.71) BRAFRAF1ALOX5
SCHEMBL14506224 0.80 ACHE (0.46) BRAFRAF1ACHEADORA3ADORA2A
SCHEMBL6227886 0.80 BRAF (0.75) BRAFALOX5HRH3
SCHEMBL5412088 0.77 MAPK13 (0.61) BRAFRAF1ALOX5
SCHEMBL4815426 0.76 HRH3 (0.79) HRH3
SCHEMBL5418952 0.73 BRAF (0.78) BRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS DEAN DAVID K 2007-06-14 US claimed
EP-1318992-B1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2005-07-27 EP claimed
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS DEAN DAVID K 2007-06-14 US disclosed
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS DEAN DAVID K 2007-06-14 US disclosed
US-7199137-B2 Imidazole derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2007-04-03 US disclosed
US-7199137-B2 Imidazole derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2007-04-03 US disclosed
US-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor SMITHKLINE BEECHAM CORPORATION 2005-08-11 US disclosed
EP-1318992-B1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2005-07-27 EP disclosed
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US 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-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor BRAF, KRAS, NRAS BRAF 1/4885RAF1 5/4885ACHE 4771/4885
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885ACHE 951/4885
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885ACHE 1015/4885

“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.