SCHEMBL2936817

SCHEMBL2936817

CN1CCN(C(=O)c2cnccc2CN2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
KCNA5 P22460 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HTR6 P50406 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
NAMPT P43490 1/20 0.36
ABL1 P00519 2/20 0.36
BCR P11274 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
MAPK7 Q13164 2/20 0.35
LSS P48449 1/20 0.35
PRKAA2 P54646 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL2937246 0.91 EPHX2 (0.38) EPHX2TP53MDM2PPARDPPARA
SCHEMBL2938294 0.90 EPHX2 (0.41) EPHX2PPARDPPARAKCNA5NAMPT
SCHEMBL2937317 0.89 KCNA5 (0.43) TP53MDM2KCNA5ALDH1A1MEN1
SCHEMBL2939760 0.86 IGF1R (0.41) TP53MDM2PPARDPPARA
SCHEMBL2939416 0.86 IGF1R (0.37) TP53MDM2PPARDPPARAALDH1A1
SCHEMBL2939834 0.86 PPARD (0.42) EPHX2PPARDPPARANAMPT
SCHEMBL19410395 0.85 FNTA (0.42) EPHX2ALDH1A1ABL1
SCHEMBL2992187 0.85 ROCK2 (0.40) PPARDPPARANAMPT
SCHEMBL2940517 0.84 PPARD (0.41) PPARDPPARAALDH1A1
SCHEMBL2938440 0.84 PPARD (0.40) PPARDPPARA

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 EPHX2 3969/4885TP53 490/4885MDM2 1257/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA EPHX2 3424/4885TP53 744/4885MDM2 1909/4885

“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.