SCHEMBL2937503

SCHEMBL2937503

O=C1CN(Cc2ccncc2-c2ccccc2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.44
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
TAS2R8 Q9NYW2 2/20 0.36
CHRM5 P08912 4/20 0.36
NTRK1 P04629 1/20 0.35
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
SCN9A Q15858 1/20 0.34

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 0.91 ENPP2 (0.36) ENPP2CYP11B2PPARDPPARATAS2R8
SCHEMBL2938577 0.91 ENPP2 (0.38) ENPP2HCRTR1HCRTR2PPARDPPARA
SCHEMBL2934288 0.91 CACNA1B (0.39) ENPP2CYP11B1CYP11B2PPARDPPARA
SCHEMBL2939220 0.89 FNTA (0.39) ENPP2CYP11B1CYP11B2PPARDPPARA
SCHEMBL3727186 0.88 ABL1 (0.37) ENPP2CYP11B1CYP11B2PPARDPPARA
SCHEMBL2938615 0.88 ENPP2 (0.38) ENPP2HCRTR1HCRTR2CYP11B1CYP11B2
SCHEMBL2939371 0.86 ENPP2 (0.39) ENPP2PPARDPPARATAS2R8CHRM5
SCHEMBL3727074 0.86 ENPP2 (0.41) ENPP2HCRTR1HCRTR2CYP11B1CYP11B2
SCHEMBL2939386 0.85 SCN9A (0.39) ENPP2PPARDPPARATAS2R8NTRK1
SCHEMBL2939136 0.85 TAS2R8 (0.38) ENPP2HCRTR1HCRTR2PPARDPPARA

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 3905/4885HCRTR1 4640/4885HCRTR2 4799/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ENPP2 3920/4885HCRTR1 4352/4885HCRTR2 4696/4885

“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.