SCHEMBL2937776

SCHEMBL2937776

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.36
CACNA1B Q00975 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
TAS2R8 Q9NYW2 2/20 0.35
CHRM5 P08912 2/20 0.34
LIPE Q05469 2/20 0.34
MAPT P10636 1/20 0.34
SCN9A Q15858 2/20 0.33
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CYP11B2 P19099 1/20 0.33
GRM2 Q14416 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
SCHEMBL2938577 0.92 ENPP2 (0.38) ENPP2CACNA1BPPARDPPARACHRM5
SCHEMBL2934288 0.92 CACNA1B (0.39) ENPP2CACNA1BPPARDPPARATAS2R8
SCHEMBL2937503 0.91 ENPP2 (0.44) ENPP2PPARDPPARATAS2R8CHRM5
SCHEMBL2939136 0.86 TAS2R8 (0.38) ENPP2PPARDPPARATAS2R8MAPT
SCHEMBL2939574 0.85 IGF1R (0.41) ENPP2CACNA1BTAS2R8SCN9A
SCHEMBL2939220 0.85 FNTA (0.39) ENPP2PPARDPPARACHRM5LIPE
SCHEMBL2939521 0.84 NISCH (0.46) ENPP2PPARDPPARARIPK3TAS2R8
SCHEMBL2939386 0.84 SCN9A (0.39) ENPP2PPARDPPARATAS2R8MAPT
SCHEMBL2940706 0.84 PPARD (0.38) ENPP2PPARDPPARATAS2R8MAPT
SCHEMBL2941888 0.84 IGF1R (0.38) ENPP2CACNA1BTAS2R8

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 3905/4885CACNA1B 4752/4885PPARD 3189/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ENPP2 3920/4885CACNA1B 4689/4885PPARD 3572/4885

“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.