SCHEMBL2934706

SCHEMBL2934706

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.46
PTGS2 P35354 5/20 0.46
AOC1 P19801 4/20 0.44
AOC3 Q16853 3/20 0.44
IGF1R P08069 3/20 0.38
BRS3 P32247 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL2938199 0.87 RXFP1 (0.39) PTGS1PTGS2IGF1RMEN1KMT2A
SCHEMBL2938427 0.86 IGF1R (0.41) PTGS1PTGS2AOC1AOC3IGF1R
SCHEMBL2938420 0.85 AOC1 (0.42) PTGS1PTGS2AOC1AOC3MEN1
SCHEMBL2940480 0.85 IGF1R (0.46) PTGS1PTGS2AOC1AOC3IGF1R
SCHEMBL2939157 0.85 AOC1 (0.41) PTGS1PTGS2AOC1AOC3IGF1R
SCHEMBL2936866 0.85 IGF1R (0.39) PTGS1PTGS2IGF1RLMNAMAPK1
SCHEMBL2939938 0.84 IGF1R (0.40) PTGS1PTGS2AOC1AOC3IGF1R
SCHEMBL2939063 0.84 IGF1R (0.40) PTGS1PTGS2IGF1RLMNAMAPK1
SCHEMBL2936393 0.84 IGF1R (0.38) PTGS1PTGS2IGF1RLMNAMAPK1
SCHEMBL2937193 0.83 IGF1R (0.58) PTGS1PTGS2AOC1AOC3IGF1R

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 PTGS1 1421/4885PTGS2 2449/4885AOC1 2240/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA PTGS1 1012/4885PTGS2 2223/4885AOC1 2183/4885

“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.