SCHEMBL6583148

SCHEMBL6583148

O=C(Nc1ccc(Oc2ccnc(NCC3CC3)n2)c2ccccc12)NC1CC1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 19/20 0.42
MAPK14 Q16539 5/20 0.42
SRC P12931 6/20 0.41
SYK P43405 6/20 0.41
HCK P08631 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK12 P53778 1/20 0.38

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
SCHEMBL6583633 0.88 GSK3A (0.45) GSK3AMAPK14SRCSYKHCK
SCHEMBL6587587 0.88 SYK (0.44) GSK3AMAPK14SRCSYKHCK
SCHEMBL6585511 0.88 VCP (0.39) GSK3AMAPK14SRCSYKHCK
SCHEMBL6584730 0.86 GSK3A (0.43) GSK3AMAPK14SRCSYKHCK
SCHEMBL6585819 0.85 KDR (0.40) GSK3AMAPK14SRCSYKHCK
SCHEMBL6583161 0.84 GSK3A (0.42) GSK3AMAPK14SRCSYKHCK
SCHEMBL6585714 0.84 KDR (0.44) GSK3AMAPK14SRCSYKMAPK12
SCHEMBL6583630 0.81 MAPK14 (0.40) GSK3AMAPK14SRCSYKHCK
SCHEMBL6598212 0.78 KDR (0.40) GSK3AMAPK14SRCSYKHCK
SCHEMBL6589214 0.77 KDR (0.41) GSK3AMAPK14SRCSYK

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 7 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-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
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 GSK3A 4608/4885MAPK14 3283/4885SRC 3689/4885

“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.