SCHEMBL5753770

SCHEMBL5753770

CCS(=O)(=O)N1CCCC1C1CC1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.52
ABL1 P00519 2/20 0.52
RAF1 P04049 2/20 0.52
LYN P07948 2/20 0.52
MAPK9 P45984 2/20 0.52
EGFR P00533 1/20 0.52
BRAF P15056 1/20 0.52
EPHA2 P29317 1/20 0.52
EPHA3 P29320 1/20 0.52
AKT1 P31749 1/20 0.52
SRC P12931 1/20 0.50
ENPP2 Q13822 2/20 0.36
MOK Q9UQ07 5/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
PDE7A Q13946 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 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
SCHEMBL5753499 0.94 ABL1 (0.57) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5782135 0.88 MAPK14 (0.54) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5753105 0.87 MAPK14 (0.56) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5754192 0.87 MAPK14 (0.55) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5753008 0.86 MAPK14 (0.56) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5753571 0.86 MAPK14 (0.52) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5754152 0.84 MAPK14 (0.55) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5755374 0.84 MAPK14 (0.56) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5753855 0.83 MAPK14 (0.51) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5752535 0.82 MAPK14 (0.65) MAPK14ABL1RAF1LYNMAPK9

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
EP-1414810-B1 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMA (US) 2006-08-30 EP claimed
JP-2004534787-A 2004-11-18 JP claimed
EP-1414810-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-05-06 EP claimed
US-20030100608-A1 1,4-disubstituted benzo-fused cycloalkyl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-29 US claimed
WO-2002098869-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
EP-1414810-B1 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMA (US) 2006-08-30 EP disclosed
EP-1414810-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-05-06 EP disclosed
US-6720321-B2 REACTING THE ALDEHYDE WITH CARBETHOXYMETHYLENE TRIPHENYLYPHOSPHORANE TO FORM UNSATURATED ESTER, REACTING ESTER WITH DIAZOMETHANE IN PRESENCE OF PALLADIUM ACETATE TO FORM CYCLOPROPANE CABROXYLIC ESTER, HYDROLYSIS TO FORM ACID BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-13 US disclosed
WO-2002098869-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-12 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 (1 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-20030100608-A1 1,4-disubstituted benzo-fused cycloalkyl urea compounds MPO, NFKBIA, YBX1 MAPK14 3283/4885ABL1 2742/4885RAF1 2720/4885

“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.