SCHEMBL6583756

SCHEMBL6583756

Cc1cc(Oc2ccc(NC(=O)NC3CC3C3CCOCC3)c3ccccc23)nc(CN2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.41
MAPK13 O15264 4/20 0.41
MAPK12 P53778 4/20 0.41
MAPK11 Q15759 4/20 0.41
KDR P35968 2/20 0.40
SRC P12931 5/20 0.39
TNF P01375 3/20 0.39
CIT O14578 1/20 0.39
MUSK O15146 1/20 0.39
MAP3K7 O43318 1/20 0.39
RIPK2 O43353 1/20 0.39
STK10 O94804 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
NTRK1 P04629 1/20 0.39
HSPB1 P04792 1/20 0.39
PRKCB P05771 1/20 0.39

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
SCHEMBL6587531 0.96 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11KDR
SCHEMBL6585102 0.81 GSK3A (0.39) MAPK14KDRSRCGSK3ASYK
SCHEMBL14380430 0.80 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11KDR
SCHEMBL6810815 0.79 KDR (0.42) MAPK14KDRRAF1BRAFGSK3A
SCHEMBL5622491 0.78 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KDR
SCHEMBL6589214 0.77 KDR (0.41) MAPK14KDRSRCRAF1BRAF
SCHEMBL5623931 0.77 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11KDR
SCHEMBL6598212 0.77 KDR (0.40) MAPK14MAPK12KDRSRCLCK
SCHEMBL6583664 0.77 KDR (0.40) MAPK14MAPK12KDRSRCRAF1
SCHEMBL5622991 0.76 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11KDR

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 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.