SCHEMBL5753780

SCHEMBL5753780

O=C(Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)NC1CC1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.58
SRC P12931 5/20 0.55
ABL1 P00519 4/20 0.55
LYN P07948 3/20 0.55
RAF1 P04049 2/20 0.55
MAPK9 P45984 2/20 0.55
EGFR P00533 4/20 0.54
BRAF P15056 1/20 0.54
EPHA2 P29317 1/20 0.54
EPHA3 P29320 1/20 0.54
AKT1 P31749 1/20 0.54
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
SYK P43405 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
KDM1A O60341 2/20 0.41
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
EPHX2 P34913 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL5750847 0.94 MAPK14 (0.55) MAPK14SRCABL1LYNRAF1
SCHEMBL5755103 0.91 MAPK14 (0.55) MAPK14SRCABL1LYNRAF1
SCHEMBL5787435 0.91 MAPK14 (0.60) MAPK14SRCABL1LYNRAF1
SCHEMBL5749765 0.89 MAPK14 (0.55) MAPK14SRCABL1LYNRAF1
SCHEMBL5758787 0.89 MAPK14 (0.55) MAPK14SRCABL1LYNRAF1
SCHEMBL5754964 0.88 MAPK14 (0.54) MAPK14SRCABL1LYNRAF1
SCHEMBL5752535 0.87 MAPK14 (0.65) MAPK14SRCABL1LYNRAF1
SCHEMBL5751529 0.87 MAPK14 (0.56) MAPK14SRCABL1LYNRAF1
SCHEMBL4092250 0.86 MAPK14 (0.72) MAPK14SRCABL1LYNRAF1
SCHEMBL4096374 0.86 MAPK14 (0.52) MAPK14SRCABL1LYNRAF1

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 3283/4885SRC 3689/4885ABL1 2742/4885

“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.