SCHEMBL2939834

SCHEMBL2939834

O=C(O)c1cnccc1CN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
NTRK1 P04629 1/20 0.40
KDM4C Q9H3R0 2/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
PPARG P37231 3/20 0.38
EPHX2 P34913 1/20 0.37
ENPP2 Q13822 2/20 0.36
TAS2R8 Q9NYW2 1/20 0.35
DHODH Q02127 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NAMPT P43490 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL2992187 0.91 ROCK2 (0.40) PPARDPPARANTRK1KDM4CKDM5A
SCHEMBL2940413 0.90 PPARD (0.39) PPARDPPARANTRK1KDM4CKDM5A
SCHEMBL2940517 0.89 PPARD (0.41) PPARDPPARAPPARGTAS2R8
SCHEMBL3733210 0.89 PPARD (0.41) PPARDPPARANTRK1PPARGTAS2R8
SCHEMBL2939008 0.89 PPARD (0.40) PPARDPPARANTRK1PPARGTAS2R8
SCHEMBL2938440 0.89 PPARD (0.40) PPARDPPARANTRK1PPARGTAS2R8
SCHEMBL2933976 0.89 PPARD (0.37) PPARDPPARANTRK1PPARGEPHX2
SCHEMBL2939402 0.88 KDR (0.46) NAMPTNPC1RAB9A
SCHEMBL2937246 0.87 EPHX2 (0.38) PPARDPPARANTRK1PPARGEPHX2
SCHEMBL2940504 0.86 PPARD (0.38) PPARDPPARAPPARGENPP2TAS2R8

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 PPARD 3189/4885PPARA 4338/4885NTRK1 3730/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA PPARD 3572/4885PPARA 4692/4885NTRK1 3595/4885

“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.