Sugi Predict

Sugi Predict / Compounds / SCHEMBL6585511

SCHEMBL6585511

SCHEMBL6585511

Cc1cc(Oc2ccc(NC(=O)NC3CC3C3CCCCC3)c3ccccc23)nc(NCC2CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 6/20 0.39
▸ KDR P35968 1/20 0.38
▸ CD38 P28907 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GSK3A P49840 8/20 0.35
▸ MAPK14 Q16539 4/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ SRC P12931 2/20 0.33
▸ SYK P43405 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MAPK12 P53778 1/20 0.33

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
SCHEMBL6598212 0.90 KDR (0.40) KDRGSK3AMAPK14EPHX1SRC
SCHEMBL6581723 0.89 SYK (0.38) KDRGSK3AMAPK14SRCSYK
SCHEMBL6583148 0.88 GSK3A (0.42) GSK3AMAPK14SRCSYKHCK
SCHEMBL6810815 0.87 KDR (0.42) KDRGSK3AMAPK14EPHX1
SCHEMBL6589214 0.86 KDR (0.41) KDRGSK3AMAPK14EPHX1SRC
SCHEMBL6583664 0.85 KDR (0.40) KDRGSK3AMAPK14EPHX1SRC
SCHEMBL6585102 0.81 GSK3A (0.39) KDRGSK3AMAPK14SRCSYK
SCHEMBL6587531 0.80 MAPK14 (0.40) KDRGSK3AMAPK14SRCSYK
SCHEMBL6298778 0.78 GSK3A (0.52) GSK3AMAPK14SRCSYK
SCHEMBL6587587 0.77 SYK (0.44) GSK3AMAPK14SRCSYKHCK

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 VCP 3195/4885KDR 4798/4885CD38 2716/4885

“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.