SCHEMBL2938459

SCHEMBL2938459

O=C1CN(Cc2ccnc(-c3ccccn3)c2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
GPR39 O43194 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CHRM5 P08912 1/20 0.38
SCN9A Q15858 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
PPARG P37231 2/20 0.37
SCN1A P35498 1/20 0.37
SCN4A P35499 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
KCNN4 O15554 2/20 0.37
NTRK1 P04629 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL2934206 0.90 ENPP2 (0.49) ENPP2PPARDPPARAHCRTR1HCRTR2
SCHEMBL2940567 0.87 ENPP2 (0.41) ENPP2PPARDPPARAHCRTR1HCRTR2
SCHEMBL2941311 0.86 ENPP2 (0.43) ENPP2PPARDPPARACHRM5PPARG
SCHEMBL2938753 0.86 TRPA1 (0.46) ENPP2PPARDPPARASCN9ASCN10A
SCHEMBL2931264 0.85 ENPP2 (0.45) ENPP2PPARDPPARASCN9ASCN10A
SCHEMBL2931615 0.85 PPARD (0.44) ENPP2PPARDPPARAPPARGKCNN4
SCHEMBL2938586 0.85 ENPP2 (0.43) ENPP2PPARDPPARACHRM5PPARG
SCHEMBL2940927 0.85 ENPP2 (0.43) ENPP2PPARDPPARASCN9ASCN10A
SCHEMBL2938658 0.85 SMN1; SMN2 (0.45) ENPP2PPARDPPARAHCRTR1HCRTR2
SCHEMBL2935795 0.85 IGF1R (0.46) ENPP2

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 ENPP2 3905/4885PPARD 3189/4885PPARA 4338/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ENPP2 3920/4885PPARD 3572/4885PPARA 4692/4885

“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.