SCHEMBL2938965

SCHEMBL2938965

O=C1CN(Cc2ccncc2Oc2ccccc2)C(=O)N1c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.39
ENPP2 Q13822 2/20 0.38
TAS2R8 Q9NYW2 4/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
NTRK1 P04629 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
SCN9A Q15858 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
SCHEMBL2938429 0.88 IGF1R (0.40) IGF1RENPP2TAS2R8PPARDPPARA
SCHEMBL2939371 0.87 ENPP2 (0.39) ENPP2TAS2R8PTGS1PTGS2NTRK1
SCHEMBL2939138 0.87 IGF1R (0.44) IGF1RTAS2R8NTRK1PPARDPPARA
SCHEMBL2938979 0.86 ENPP2 (0.38) IGF1RENPP2TAS2R8PPARDPPARA
SCHEMBL2935167 0.85 IGF1R (0.43) IGF1RTAS2R8NTRK1PPARDPPARA
SCHEMBL2939583 0.85 PTGS1 (0.41) IGF1RENPP2TAS2R8PTGS1PTGS2
SCHEMBL2934064 0.84 IGF1R (0.37) IGF1RENPP2TAS2R8KDM4CNTRK1
SCHEMBL2940557 0.84 ENPP2 (0.44) IGF1RENPP2TAS2R8NTRK1PPARD
SCHEMBL2933987 0.83 IGF1R (0.43) IGF1RENPP2TAS2R8PPARDPPARA
SCHEMBL2940483 0.83 IGF1R (0.44) IGF1RENPP2TAS2R8NTRK1PPARD

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 IGF1R 1595/4885ENPP2 3905/4885TAS2R8 3914/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885ENPP2 3920/4885TAS2R8 4047/4885

“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.