SCHEMBL2940641

SCHEMBL2940641

O=C1CN(Cc2ccncc2NS(=O)(=O)Nc2ccccc2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ENPP2 Q13822 2/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
LIPE Q05469 4/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CTSC P53634 1/20 0.33
TAS2R8 Q9NYW2 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
PLK1 P53350 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL2939354 0.90 FLT1 (0.36) CCR9GSK3AGSK3BENPP2LIPE
SCHEMBL2941772 0.89 CCR9 (0.46) CCR9ENPP2LIPEPPARDPPARA
SCHEMBL2935440 0.89 CCR9 (0.36) CCR9GSK3AGSK3BPTGS1PTGS2
SCHEMBL2940977 0.89 GSK3A (0.40) CCR9GSK3AGSK3BENPP2PTGS1
SCHEMBL2937695 0.88 LIPE (0.42) CCR9ENPP2PTGS1PTGS2LIPE
SCHEMBL2936859 0.87 IGF1R (0.39) ENPP2PTGS1PTGS2PPARDPPARA
SCHEMBL2939397 0.87 CCR9 (0.37) CCR9ENPP2LIPEPPARDPPARA
SCHEMBL2941371 0.87 KIF11 (0.37) CCR9PTGS1PTGS2PPARDPPARA
SCHEMBL2942464 0.87 IGF1R (0.38) ENPP2PTGS1PTGS2TAS2R8
SCHEMBL2941043 0.85 NPC1 (0.48) GSK3AGSK3BNPC1RAB9AKDR

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
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 US disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 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 (2 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-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 CCR9 3896/4885GSK3A 740/4885GSK3B 799/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA CCR9 4016/4885GSK3A 659/4885GSK3B 702/4885

“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.