SCHEMBL6587587

SCHEMBL6587587

CN(C)CCNc1nccc(Oc2ccc(NC(=O)NC3CC3C3CCCCC3)c3ccccc23)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.44
GSK3A P49840 16/20 0.43
MAPK14 Q16539 10/20 0.43
SRC P12931 9/20 0.43
ERN1 O75460 1/20 0.41
MAPK10 P53779 1/20 0.41
HCK P08631 1/20 0.40
GSK3B P49841 1/20 0.40
MAPK12 P53778 1/20 0.40

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
SCHEMBL6581723 0.89 SYK (0.38) SYKGSK3AMAPK14SRC
SCHEMBL6583633 0.89 GSK3A (0.45) SYKGSK3AMAPK14SRCHCK
SCHEMBL6583148 0.88 GSK3A (0.42) SYKGSK3AMAPK14SRCHCK
SCHEMBL6584730 0.84 GSK3A (0.43) SYKGSK3AMAPK14SRCHCK
SCHEMBL6583161 0.83 GSK3A (0.42) SYKGSK3AMAPK14SRCHCK
SCHEMBL6585714 0.83 KDR (0.44) SYKGSK3AMAPK14SRCMAPK12
SCHEMBL6585819 0.82 KDR (0.40) SYKGSK3AMAPK14SRCHCK
SCHEMBL6585102 0.82 GSK3A (0.39) SYKGSK3AMAPK14SRC
SCHEMBL6583630 0.81 MAPK14 (0.40) SYKGSK3AMAPK14SRCHCK
SCHEMBL6585339 0.79 KDR (0.40) SYKGSK3AMAPK14SRCMAPK12

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 5 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
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

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 SYK 2561/4885GSK3A 4608/4885MAPK14 3283/4885

“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.