SCHEMBL2941772

SCHEMBL2941772

O=C1CN(Cc2ccncc2NS(=O)(=O)c2ccccc2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 7/20 0.46
SLC40A1 Q9NP59 3/20 0.40
ENPP2 Q13822 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
SERPINE1 P05121 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
NAMPT P43490 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
LIPE Q05469 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
SCHEMBL2939454 0.92 CCR9 (0.47) CCR9NAMPTLIPE
SCHEMBL2940641 0.89 CCR9 (0.36) CCR9ENPP2PPARDPPARALIPE
SCHEMBL2937695 0.88 LIPE (0.42) CCR9ENPP2PPARDPPARANAMPT
SCHEMBL2936133 0.88 IGF1R (0.40) CCR9ENPP2
SCHEMBL2941371 0.88 KIF11 (0.37) CCR9PPARDPPARA
SCHEMBL2939397 0.88 CCR9 (0.37) CCR9ENPP2PPARDPPARALIPE
SCHEMBL2938447 0.87 CCR9 (0.38) CCR9PPARDPPARANAMPT
SCHEMBL2939354 0.87 FLT1 (0.36) CCR9ENPP2PPARDPPARANAMPT
SCHEMBL2938721 0.86 IGF1R (0.37) CCR9ENPP2
SCHEMBL2935440 0.86 CCR9 (0.36) CCR9PPARDPPARALIPE

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 5 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
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

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 3896/4885SLC40A1 4028/4885ENPP2 3905/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA CCR9 4016/4885SLC40A1 3944/4885ENPP2 3920/4885

“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.