SCHEMBL2941498

SCHEMBL2941498

CNc1cnccc1CN1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C1C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.64
SMO Q99835 4/20 0.38
AOC1 P19801 2/20 0.37
AOC3 Q16853 2/20 0.37
CTSS P25774 1/20 0.33
NAMPT P43490 1/20 0.32
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
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
TAS2R8 Q9NYW2 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
SCHEMBL2933142 0.91 IGF1R (0.60) IGF1RSMOCTSSPTGS1PTGS2
SCHEMBL2939901 0.91 IGF1R (0.62) IGF1RSMOAOC1AOC3CTSS
SCHEMBL2941931 0.91 IGF1R (0.62) IGF1RSMOCTSSPTGS1PTGS2
SCHEMBL2936770 0.90 IGF1R (0.61) IGF1RSMOAOC1AOC3CTSS
SCHEMBL2939014 0.90 IGF1R (0.61) IGF1RSMOCTSSNAMPTPTGS1
SCHEMBL2939954 0.89 IGF1R (0.60) IGF1RSMOCTSSNAMPTLMNA
SCHEMBL2941473 0.88 IGF1R (0.59) IGF1RSMOCTSSPTGS1PTGS2
SCHEMBL2937893 0.88 IGF1R (0.62) IGF1RSMOCTSSNAMPTPTGS1
SCHEMBL2942184 0.88 IGF1R (0.64) IGF1RSMOPTGS1PTGS2TAS2R8
SCHEMBL2941619 0.88 IGF1R (0.63) IGF1RSMOPTGS1PTGS2

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 1595/4885SMO 2187/4885AOC1 2240/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885SMO 2697/4885AOC1 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.