SCHEMBL2938199

SCHEMBL2938199

O=C(Nc1cnccc1CN1CC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
IGF1R P08069 2/20 0.36
EPHX2 P34913 1/20 0.35
ENPP3 O14638 4/20 0.34
ENPP2 Q13822 3/20 0.34
ENPP1 P22413 3/20 0.34
NAMPT P43490 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CHKA P35790 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CCR2 P41597 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 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
SCHEMBL2936976 0.91 EPHX2 (0.39) IGF1REPHX2NAMPTMEN1NPC1
SCHEMBL2934706 0.87 PTGS1 (0.46) IGF1RMEN1KMT2APTGS1PTGS2
SCHEMBL2941059 0.87 MEN1 (0.39) RXFP1IGF1RENPP2NAMPTMEN1
SCHEMBL2936854 0.87 IGF1R (0.39) RXFP1IGF1RENPP2NAMPTGSK3B
SCHEMBL2938387 0.86 GSK3A (0.41) EPHX2NAMPTGSK3AGSK3B
SCHEMBL2940074 0.86 RXFP1 (0.38) RXFP1IGF1RNAMPTHDAC3HDAC1
SCHEMBL2940047 0.84 IGF1R (0.55) RXFP1IGF1REPHX2CHKAHDAC3
SCHEMBL2941066 0.84 IGF1R (0.38) RXFP1IGF1REPHX2ENPP2NAMPT
SCHEMBL2938427 0.84 IGF1R (0.41) IGF1RENPP2NAMPTPTGS1PTGS2
SCHEMBL2940971 0.83 IGF1R (0.54) RXFP1IGF1REPHX2NAMPTHDAC3

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 RXFP1 2972/4885IGF1R 1595/4885EPHX2 3969/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA RXFP1 2467/4885IGF1R 962/4885EPHX2 3424/4885

“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.