SCHEMBL2941399

SCHEMBL2941399

O=C(Nc1cnccc1CN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ENPP2 Q13822 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
LIPE Q05469 1/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
NTRK1 P04629 1/20 0.34
PPARG P37231 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
FLT1 P17948 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
SCHEMBL2941261 0.89 GSK3A (0.41) GSK3AGSK3BPPARDPPARAKDM4C
SCHEMBL2934142 0.89 PPARD (0.38) GSK3AGSK3BPPARDPPARAENPP2
SCHEMBL2941567 0.89 IGF1R (0.36) PPARDPPARAKDM5AKDM4CKDM5B
SCHEMBL2941043 0.88 NPC1 (0.48) GSK3AGSK3BNPC1RAB9AKDR
SCHEMBL2934527 0.88 IGF1R (0.37) PPARDPPARAENPP2KMT2AHPGD
SCHEMBL2938268 0.88 CACNA1H (0.45) GSK3AGSK3BPPARDPPARAKDM5A
SCHEMBL2938727 0.87 PPARD (0.39) PPARDPPARANPC1RAB9ATRPV1
SCHEMBL2938253 0.87 PPARD (0.40) GSK3AGSK3BPPARDPPARANPC1
SCHEMBL2939102 0.87 PPARD (0.37) PPARDPPARAENPP2NPC1RAB9A
SCHEMBL2940413 0.86 PPARD (0.39) PPARDPPARAKDM5AKDM4CKDM5B

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 GSK3A 740/4885GSK3B 799/4885PPARD 3189/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GSK3A 659/4885GSK3B 702/4885PPARD 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.