SCHEMBL2935319

SCHEMBL2935319

O=C1CN(Cc2ccncc2NS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.39
CCR9 P51686 10/20 0.38
PIK3CD O00329 2/20 0.37
PIK3R1 P27986 2/20 0.37
MTOR P42345 2/20 0.37
CCR1 P32246 1/20 0.37
CCR4 P51679 1/20 0.37
IGF1R P08069 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2936133 0.92 IGF1R (0.40) CCR9IGF1RPTGS1PTGS2
SCHEMBL2939454 0.89 CCR9 (0.47) CCR2CCR9PIK3CDPIK3R1MTOR
SCHEMBL2936633 0.89 IGF1R (0.38) CCR2CCR9PIK3CDPIK3R1MTOR
SCHEMBL2939063 0.88 IGF1R (0.40) IGF1RPTGS1PTGS2
SCHEMBL2936393 0.88 IGF1R (0.38) CCR9IGF1RPTGS1PTGS2
SCHEMBL2939907 0.87 SMN1; SMN2 (0.37) IGF1RALDH1A1
SCHEMBL2938427 0.86 IGF1R (0.41) IGF1RPTGS1PTGS2
SCHEMBL2937745 0.86 IGF1R (0.39) IGF1RPTGS1PTGS2
SCHEMBL2938993 0.85 IGF1R (0.38) IGF1RPTGS1PTGS2
SCHEMBL2933357 0.85 GAA (0.36) CCR2CCR9IGF1RALDH1A1

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 CCR2 4447/4885CCR9 3896/4885PIK3CD 246/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA CCR2 3724/4885CCR9 4016/4885PIK3CD 156/4885

“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.