Sugi Predict

Sugi Predict / Compounds / SCHEMBL2939721

SCHEMBL2939721

SCHEMBL2939721

O=C1CN(Cc2ccncc2-c2ccc(Cl)cc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.38
▸ IGF1R P08069 2/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ CACNA1B Q00975 2/20 0.36
▸ PTGS2 P35354 3/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ CNR1 P21554 4/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CTSS P25774 1/20 0.33
▸ LSS P48449 1/20 0.32
▸ CTSG P08311 1/20 0.32
▸ CMA1 P23946 1/20 0.32

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
SCHEMBL2941888 0.92 IGF1R (0.38) ENPP2IGF1RCACNA1BPTGS2PTGS1
SCHEMBL2939355 0.91 ENPP2 (0.43) ENPP2IGF1RBCL2L1CACNA1BPTGS2
SCHEMBL2938767 0.90 PTGS2 (0.37) ENPP2IGF1RBCL2L1PTGS2PTGS1
SCHEMBL2935001 0.89 SLC22A12 (0.43) ENPP2IGF1RCACNA1BPTGS2PTGS1
SCHEMBL2934894 0.87 IGF1R (0.40) ENPP2IGF1RPTGS2LMNAMAPK1
SCHEMBL2940658 0.86 IGF1R (0.40) ENPP2IGF1RPTGS2
SCHEMBL2935319 0.85 CCR2 (0.39) IGF1RPTGS2PTGS1
SCHEMBL2936272 0.84 IGF1R (0.42) ENPP2IGF1RCACNA1B
SCHEMBL2938577 0.84 ENPP2 (0.38) ENPP2CACNA1BPTGS2
SCHEMBL3732051 0.84 IGF1R (0.36) ENPP2IGF1RPTGS2CTSSLMNA

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 3905/4885IGF1R 1595/4885BCL2L1 2218/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ENPP2 3920/4885IGF1R 962/4885BCL2L1 2469/4885

“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.