SCHEMBL2994366

SCHEMBL2994366

O=C(c1cc(CN2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)ccn1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
CHRM4 P08173 4/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
ENPP2 Q13822 2/20 0.40
SCN9A Q15858 1/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CCKAR P32238 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL2940531 0.89 PPARD (0.43) KCNA5PPARDPPARASCN9ASMN1; SMN2
SCHEMBL2940478 0.89 EPHX2 (0.41) PPARDPPARASCN9ANPC1RAB9A
SCHEMBL2937714 0.89 EPHX2 (0.44) KCNA5PPARDPPARAENPP2SCN9A
SCHEMBL2931785 0.87 ENPP2 (0.40) PPARDPPARAENPP2MAPTNPSR1
SCHEMBL2935491 0.87 IGF1R (0.47) PPARDPPARAENPP2HSD17B10KHK
SCHEMBL2935376 0.85 PPARD (0.48) PPARDPPARAENPP2SMN1; SMN2ALDH1A1
SCHEMBL2938197 0.85 PPARD (0.47) PPARDPPARAENPP2SMN1; SMN2ALDH1A1
SCHEMBL2934887 0.84 IGF1R (0.47) PPARDPPARAENPP2SMN1; SMN2HTT
SCHEMBL2939167 0.83 IGF1R (0.53) PPARDPPARAPPARG
SCHEMBL2938123 0.83 GCGR (0.44) KCNA5CHRM4ENPP2SCN9AMAPT

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 KCNA5 3789/4885CHRM4 4442/4885PPARD 3189/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA KCNA5 3168/4885CHRM4 4393/4885PPARD 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.