SCHEMBL3727779

SCHEMBL3727779

O=C1CN(Cc2ccncc2-n2cccn2)C(=O)N1c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.39
TAS2R8 Q9NYW2 8/20 0.37
SCN9A Q15858 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.34
ENPP2 Q13822 1/20 0.33
NTRK1 P04629 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
SCHEMBL2938300 0.85 TAS2R8 (0.37) TAS2R8SCN9ASCN10AENPP2NTRK1
SCHEMBL2934993 0.85 IGF1R (0.39) IGF1RTAS2R8SCN9ASCN10AENPP2
SCHEMBL2938307 0.83 IGF1R (0.41) IGF1RTAS2R8SCN9AENPP2NTRK1
SCHEMBL2940483 0.83 IGF1R (0.44) IGF1RTAS2R8ENPP2NTRK1
SCHEMBL2939185 0.83 IGF1R (0.44) IGF1RTAS2R8SCN9ASCN10AENPP2
SCHEMBL2940733 0.82 IGF1R (0.39) IGF1RTAS2R8SCN9ASCN10AENPP2
SCHEMBL2937915 0.82 IGF1R (0.43) IGF1RTAS2R8NTRK1
SCHEMBL2940551 0.82 IGF1R (0.44) IGF1RTAS2R8ENPP2NTRK1
SCHEMBL2939325 0.82 IGF1R (0.46) IGF1RTAS2R8ENPP2NTRK1
SCHEMBL2938597 0.82 IGF1R (0.46) IGF1RTAS2R8

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 4 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
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 IGF1R 1595/4885TAS2R8 3914/4885SCN9A 2296/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885TAS2R8 4047/4885SCN9A 2453/4885

“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.