SCHEMBL2938577

SCHEMBL2938577

O=C1CN(Cc2ccncc2-c2ccc(Cl)cc2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.38
CHRM5 P08912 2/20 0.36
MARS1 P56192 1/20 0.35
CACNA1B Q00975 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
FNTA P49354 1/20 0.34
PGGT1B P53609 1/20 0.34
KCNH2 Q12809 2/20 0.34
PTGS2 P35354 1/20 0.34
GRM2 Q14416 1/20 0.34
PRCP P42785 2/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 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
SCHEMBL2937776 0.92 ENPP2 (0.36) ENPP2CHRM5CACNA1BPPARDPPARA
SCHEMBL2934288 0.91 CACNA1B (0.39) ENPP2CACNA1BPPARDPPARA
SCHEMBL2937503 0.91 ENPP2 (0.44) ENPP2CHRM5PPARDPPARAKCNH2
SCHEMBL2939220 0.89 FNTA (0.39) ENPP2CHRM5PPARDPPARAFNTA
SCHEMBL2934030 0.86 PPARD (0.38) ENPP2CHRM5PPARDPPARAHCRTR1
SCHEMBL2938615 0.86 ENPP2 (0.38) ENPP2CHRM5PPARDPPARAHCRTR1
SCHEMBL2936272 0.85 IGF1R (0.42) ENPP2CACNA1BPPARDPPARA
SCHEMBL2939721 0.84 ENPP2 (0.38) ENPP2CACNA1BPTGS2
SCHEMBL2939521 0.84 NISCH (0.46) ENPP2CHRM5PPARDPPARAKCNH2
SCHEMBL2939386 0.84 SCN9A (0.39) ENPP2PPARDPPARASCN9APPARG

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 ENPP2 3905/4885CHRM5 4534/4885MARS1 1797/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ENPP2 3920/4885CHRM5 4452/4885MARS1 2182/4885

“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.