SCHEMBL6583540

SCHEMBL6583540

O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)NC1CC1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.61
MAPK13 O15264 4/20 0.59
MAPK12 P53778 4/20 0.59
MAPK11 Q15759 4/20 0.59
TNF P01375 4/20 0.55
DDR2 Q16832 3/20 0.53
CIT O14578 1/20 0.52
MUSK O15146 1/20 0.52
MAP3K7 O43318 1/20 0.52
RIPK2 O43353 1/20 0.52
STK10 O94804 1/20 0.52
MAP4K4 O95819 1/20 0.52
CHEK2 O96017 1/20 0.52
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
RAF1 P04049 1/20 0.52
NTRK1 P04629 1/20 0.52
HSPB1 P04792 1/20 0.52
PRKCB P05771 1/20 0.52
LCK P06239 1/20 0.52

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
SCHEMBL1600328 0.84 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL1600030 0.84 MAPK14 (0.57) MAPK14EGFR
SCHEMBL1599810 0.84 MAPK14 (0.57) MAPK14EGFR
SCHEMBL6587109 0.83 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6585227 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL4566793 0.80 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL30009966 0.80 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL10129913 0.80 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL30449051 0.79 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6334316 0.79 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11TNF

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
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-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 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-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
US-20030100608-A1 1,4-disubstituted benzo-fused cycloalkyl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-29 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 3283/4885MAPK13 3656/4885MAPK12 4162/4885

“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.