SCHEMBL2938420

SCHEMBL2938420

O=C1CN(Cc2ccncc2NC2CCCCC2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 4/20 0.42
AOC3 Q16853 3/20 0.42
PTGS1 P23219 6/20 0.40
PTGS2 P35354 5/20 0.40
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
GALR2 O43603 1/20 0.34
GALR1 P47211 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SYK P43405 1/20 0.34
GCGR P47871 2/20 0.34
KDM4C Q9H3R0 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
GAA P10253 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
SCHEMBL2938387 0.86 GSK3A (0.41) EPHX1EPHX2GCGRKDM4CPPARD
SCHEMBL2940696 0.86 PPARD (0.38) AOC1AOC3MEN1KMT2AGCGR
SCHEMBL2940480 0.86 IGF1R (0.46) AOC1AOC3PTGS1PTGS2MEN1
SCHEMBL2934706 0.85 PTGS1 (0.46) AOC1AOC3PTGS1PTGS2MEN1
SCHEMBL2941225 0.85 AOC1 (0.39) AOC1AOC3MEN1KMT2AGCGR
SCHEMBL2936095 0.85 GCGR (0.35) EPHX2MEN1KMT2AGCGRPPARD
SCHEMBL2941770 0.84 AOC1 (0.37) AOC1AOC3MEN1KMT2AGCGR
SCHEMBL2936074 0.83 AOC1 (0.41) AOC1AOC3PTGS1PTGS2GABBR2
SCHEMBL2941371 0.82 KIF11 (0.37) PTGS1PTGS2PPARDPPARA
SCHEMBL2940977 0.82 GSK3A (0.40) PTGS1PTGS2KDM4CPPARDPPARA

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 7 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
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP 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
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO 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 AOC1 2240/4885AOC3 3865/4885PTGS1 1421/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA AOC1 2183/4885AOC3 3735/4885PTGS1 1012/4885

“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.