Sugi Predict

Sugi Predict / Compounds / SCHEMBL2931785

SCHEMBL2931785

SCHEMBL2931785

O=C(c1cc(CN2CC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)ccn1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.40
▸ SLC6A9 P48067 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ IGF1R P08069 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KHK P50053 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL2940300 0.89 PPARD (0.39) ENPP2SLC6A9PPARDPPARALMNA
SCHEMBL2938621 0.89 PTGS2 (0.40) ENPP2SLC6A9HSD17B10PPARDPPARA
SCHEMBL2939856 0.89 PPARD (0.39) ENPP2SLC6A9PPARDPPARALMNA
SCHEMBL2994366 0.87 KCNA5 (0.43) ENPP2HSD17B10PPARDPPARAMAPT
SCHEMBL2935491 0.87 IGF1R (0.47) ENPP2HSD17B10PPARDPPARAIGF1R
SCHEMBL2937929 0.86 PPARD (0.43) ENPP2PPARDPPARALMNAIGF1R
SCHEMBL2940565 0.84 IGF1R (0.46) ENPP2PPARDPPARALMNAIGF1R
SCHEMBL2932332 0.84 PPARD (0.42) ENPP2PPARDPPARALMNAIGF1R
SCHEMBL2940127 0.84 ENPP2 (0.41) ENPP2PPARDPPARALMNAIGF1R
SCHEMBL2935622 0.83 IGF1R (0.56) IGF1R

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 ENPP2 3905/4885SLC6A9 4115/4885HSD17B10 4158/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ENPP2 3920/4885SLC6A9 4221/4885HSD17B10 3702/4885

“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.