SCHEMBL3732051

SCHEMBL3732051

O=C1CN(Cc2ccncc2C2=NCCN2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.36
ENPP2 Q13822 1/20 0.32
PTGS2 P35354 1/20 0.32
LRRK2 Q5S007 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAS2R8 Q9NYW2 1/20 0.31
CTSS P25774 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 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
SCHEMBL2938292 0.85 IGF1R (0.39) IGF1RENPP2NISCHTAS2R8PPARD
SCHEMBL2939521 0.85 NISCH (0.46) ENPP2NISCHTAS2R8PPARDPPARA
SCHEMBL2941888 0.85 IGF1R (0.38) IGF1RENPP2PTGS2LMNAMAPK1
SCHEMBL2939721 0.84 ENPP2 (0.38) IGF1RENPP2PTGS2LMNAMAPK1
SCHEMBL2939355 0.84 ENPP2 (0.43) IGF1RENPP2PTGS2LMNAMAPK1
SCHEMBL2943341 0.83 IGF1R (0.46) IGF1RLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2931329 0.82 IGF1R (0.38) IGF1RENPP2PTGS2LMNAMAPK1
SCHEMBL2937373 0.82 IGF1R (0.36) IGF1RENPP2PTGS2LMNAMAPK1
SCHEMBL2935784 0.82 IGF1R (0.41) IGF1RENPP2PTGS2LMNAMAPK1
SCHEMBL2940350 0.82 IGF1R (0.41) IGF1RENPP2PTGS2LMNAMAPK1

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 1595/4885ENPP2 3905/4885PTGS2 2449/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885ENPP2 3920/4885PTGS2 2223/4885

“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.