SCHEMBL2944016

SCHEMBL2944016

O=C1CN(Cc2ccncc2N2CCOCC2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
ABL1 P00519 3/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
SCN2A Q99250 1/20 0.36
AKT1 P31749 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
TAS2R8 Q9NYW2 3/20 0.35
BCR P11274 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
SCN9A Q15858 2/20 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
SCHEMBL2938241 0.91 PPARD (0.35) MAPTGAATAS2R8PPARDPPARA
SCHEMBL2941164 0.89 ALDH1A1 (0.39) ABL1ALDH1A1TAS2R8PPARDPPARA
SCHEMBL2940733 0.85 IGF1R (0.39) SCN10ATAS2R8SCN9A
SCHEMBL2939086 0.85 HTT (0.38) MAPTSCN10ATAS2R8SCN9A
SCHEMBL2938294 0.84 EPHX2 (0.41) ABL1SCN10ASCN2ABCRCTSS
SCHEMBL2939136 0.83 TAS2R8 (0.38) MAPTSCN10ATAS2R8PPARDPPARA
SCHEMBL2940706 0.83 PPARD (0.38) MAPTTAS2R8PPARDPPARASCN9A
SCHEMBL2939452 0.82 CYP11B2 (0.35) ABL1SCN10ASCN2AAKT1PIK3CA
SCHEMBL2939971 0.82 ABL1 (0.36) ABL1SCN10ASCN2APPARDPPARA
SCHEMBL2938300 0.82 TAS2R8 (0.37) SCN10ATAS2R8PPARDPPARASCN9A

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 7 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
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP 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
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO 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 PRKDC 17/4885MAPT 1554/4885GAA 1964/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA PRKDC 34/4885MAPT 2136/4885GAA 2768/4885

“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.