SCHEMBL3739476

SCHEMBL3739476

CC1(C)C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)[N+]1(Cc1ccnc2ccccc12)OC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.56
NAMPT P43490 1/20 0.33
MMP13 P45452 2/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP1 P03956 2/20 0.32
SYK P43405 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
AR P10275 1/20 0.32
HSD11B1 P28845 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL2933031 0.87 RAF1 (0.40) IGF1RARTRPV1ADAM17
SCHEMBL2942834 0.86 IGF1R (0.40) IGF1R
SCHEMBL2941160 0.84 IGF1R (0.38) IGF1RNAMPT
SCHEMBL3726823 0.82 IGF1R (0.51) IGF1RNAMPTMMP13ADAMTS4MMP1
SCHEMBL3737325 0.81 IGF1R (0.56) IGF1RMMP13ADAMTS4MMP1SYK
SCHEMBL3726577 0.81 IGF1R (0.56) IGF1RMMP13ADAMTS4MMP1SYK
SCHEMBL3728652 0.79 IGF1R (0.52) IGF1RMMP13ADAMTS4SYKPTGDR2
SCHEMBL3729732 0.78 IGF1R (0.51) IGF1RMMP13ADAMTS4MMP1SYK
SCHEMBL3739556 0.77 IGF1R (0.49) IGF1RNAMPTMMP13ADAMTS4SYK
SCHEMBL4890256 0.76 NAMPT (0.40) IGF1RNAMPT

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-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 claimed
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 claimed
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
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
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 (3 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 IGF1R 306/4885NAMPT 2303/4885MMP13 2223/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 IGF1R 1595/4885NAMPT 1562/4885MMP13 4174/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885NAMPT 1795/4885MMP13 4447/4885

“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.