SCHEMBL2934095

SCHEMBL2934095

COc1ccc(-c2cc(CN3CC(=O)N(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3=O)ccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.40
TAS2R8 Q9NYW2 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ENPP2 Q13822 1/20 0.38
IGF1R P08069 3/20 0.38
NOX4 Q9NPH5 2/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
SDHB P21912 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2940349 0.89 ENPP2 (0.40) TAS2R8PPARDPPARAENPP2IGF1R
SCHEMBL2940235 0.89 ENPP2 (0.42) SMN1; SMN2HTTPPARDPPARAENPP2
SCHEMBL2943201 0.88 ENPP2 (0.48) SMN1; SMN2HTTTAS2R8PPARDPPARA
SCHEMBL2938658 0.88 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HTTTAS2R8PPARD
SCHEMBL2938148 0.86 PPARD (0.41) SMN1; SMN2ALDH1A1HTTTAS2R8PPARD
SCHEMBL2939239 0.85 IGF1R (0.51) SMN1; SMN2ALDH1A1HTTIGF1R
SCHEMBL2934573 0.83 HDAC6 (0.42) SMN1; SMN2ALDH1A1HTTPPARDPPARA
SCHEMBL2940436 0.83 IGF1R (0.42) SMN1; SMN2HTTTAS2R8PPARDPPARA
SCHEMBL2940997 0.83 ENPP2 (0.42) TAS2R8PPARDPPARAENPP2IGF1R
SCHEMBL2938554 0.82 PPARD (0.43) SMN1; SMN2HTTTAS2R8PPARDPPARA

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 SMN1; SMN2 3761/4885ALDH1A1 3413/4885HTT 3931/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA SMN1; SMN2 4365/4885ALDH1A1 2827/4885HTT 4328/4885

“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.