Sugi Predict

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SCHEMBL6583664

SCHEMBL6583664

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ EPHX1 P07099 1/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ SHMT2 P34897 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ GSK3A P49840 2/20 0.33
▸ BRAF P15056 2/20 0.33
▸ TNNI3K Q59H18 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ RAF1 P04049 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
SCHEMBL6810815 0.91 KDR (0.42) KDRKMT2AEPHX1TAS1R3TAS1R1
SCHEMBL6589214 0.89 KDR (0.41) KDRKMT2AEPHX1TAS1R3TAS1R1
SCHEMBL6598212 0.88 KDR (0.40) KDREPHX1MAPK14GSK3ABRAF
SCHEMBL6585511 0.85 VCP (0.39) KDREPHX1MAPK14GSK3ASRC
SCHEMBL6581723 0.83 SYK (0.38) KDRMAPK14GSK3ASRCSYK
SCHEMBL6587531 0.82 MAPK14 (0.40) KDRMAPK14GSK3ABRAFSRC
SCHEMBL6585714 0.79 KDR (0.44) KDRMAPK14GSK3ASRCSYK
SCHEMBL6585819 0.79 KDR (0.40) KDREPHX1MAPK14GSK3ASRC
SCHEMBL6583161 0.78 GSK3A (0.42) MAPK14GSK3ASRCSYKMAPK12
SCHEMBL6591374 0.77 KDR (0.42) KDRKMT2AEPHX1TAS1R3TAS1R1

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 KDR 4798/4885KMT2A 4051/4885EPHX1 1011/4885

“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.