SCHEMBL2939583

SCHEMBL2939583

O=C1CN(Cc2ccncc2Oc2ccccc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.41
PTGS2 P35354 3/20 0.41
IGF1R P08069 2/20 0.40
ENPP2 Q13822 2/20 0.37
TAS2R8 Q9NYW2 6/20 0.35
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CTSG P08311 2/20 0.33
CMA1 P23946 2/20 0.33
SCN9A Q15858 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
SCHEMBL2938826 0.88 IGF1R (0.41) IGF1RENPP2TAS2R8PPARDPPARA
SCHEMBL2935174 0.87 IGF1R (0.42) IGF1RTAS2R8PPARDPPARA
SCHEMBL2939371 0.86 ENPP2 (0.39) PTGS1PTGS2ENPP2TAS2R8PPARD
SCHEMBL2941872 0.86 IGF1R (0.38) PTGS2IGF1RENPP2TAS2R8PPARD
SCHEMBL2934848 0.85 IGF1R (0.41) PTGS1PTGS2IGF1RENPP2TAS2R8
SCHEMBL2938965 0.85 IGF1R (0.39) PTGS1PTGS2IGF1RENPP2TAS2R8
SCHEMBL2939214 0.84 IGF1R (0.38) IGF1RENPP2TAS2R8PPARDPPARA
SCHEMBL2939355 0.84 ENPP2 (0.43) PTGS1PTGS2IGF1RENPP2TAS2R8
SCHEMBL3728965 0.84 IGF1R (0.41) IGF1RENPP2TAS2R8PPARDPPARA
SCHEMBL2935784 0.83 IGF1R (0.41) PTGS2IGF1RENPP2TAS2R8PPARD

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 PTGS1 1421/4885PTGS2 2449/4885IGF1R 1595/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA PTGS1 1012/4885PTGS2 2223/4885IGF1R 962/4885

“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.