SCHEMBL2939157

SCHEMBL2939157

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.41
AOC3 Q16853 2/20 0.41
IGF1R P08069 2/20 0.39
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAS2R8 Q9NYW2 4/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ENPP2 Q13822 1/20 0.31
CTSS P25774 1/20 0.31
PTGS2 P35354 2/20 0.31
NAMPT P43490 1/20 0.31
PTGS1 P23219 1/20 0.30
CACNA1B Q00975 2/20 0.30

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
SCHEMBL2938427 0.91 IGF1R (0.41) AOC1AOC3IGF1RLMNAMAPK1
SCHEMBL2939938 0.88 IGF1R (0.40) AOC1AOC3IGF1RLMNAMAPK1
SCHEMBL2939063 0.88 IGF1R (0.40) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2937745 0.86 IGF1R (0.39) AOC1AOC3IGF1RLMNAMAPK1
SCHEMBL2941059 0.86 MEN1 (0.39) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2936393 0.86 IGF1R (0.38) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2942706 0.86 IGF1R (0.41) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2938993 0.86 IGF1R (0.38) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2939293 0.86 IGF1R (0.36) IGF1RTAS2R8PPARDPPARANAMPT
SCHEMBL2939101 0.85 IGF1R (0.40) IGF1RLMNAMAPK1HTTSMN1; SMN2

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 3865/4885IGF1R 1595/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA AOC1 2183/4885AOC3 3735/4885IGF1R 962/4885

“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.