SCHEMBL2936095

SCHEMBL2936095

O=C1CN(Cc2ccncc2C2CCCCC2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.35
GIPR P48546 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
CYP17A1 P05093 2/20 0.33
PRCP P42785 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
CHRM4 P08173 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2931697 0.85 IGF1R (0.40) CYP17A1TAS2R8
SCHEMBL2938420 0.85 AOC1 (0.42) GCGRPPARDPPARAEPHX2MEN1
SCHEMBL2936866 0.84 IGF1R (0.39) PPARDPPARACYP17A1TAS2R8
SCHEMBL2940706 0.83 PPARD (0.38) PPARDPPARATAS2R8MEN1CYP1A2
SCHEMBL2939136 0.83 TAS2R8 (0.38) PPARDPPARAHCRTR1HCRTR2TAS2R8
SCHEMBL2938937 0.82 PPARD (0.43) PPARDPPARATAS2R8
SCHEMBL2941458 0.82 TAS2R8 (0.38) GCGRPPARDPPARATAS2R8MEN1
SCHEMBL2937375 0.82 PPARD (0.39) PPARDPPARATAS2R8MEN1CYP1A2
SCHEMBL2934030 0.82 PPARD (0.38) PPARDPPARAHCRTR1HCRTR2TAS2R8
SCHEMBL2938241 0.82 PPARD (0.35) PPARDPPARATAS2R8EPHX2MEN1

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 GCGR 2462/4885GIPR 2114/4885PPARD 3189/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885GIPR 1747/4885PPARD 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.