SCHEMBL2934137

SCHEMBL2934137

O=C(Nc1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C12CC2)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.47
LIPE Q05469 1/20 0.42
ABL1 P00519 8/20 0.40
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MCHR1 Q99705 4/20 0.38
HSD17B13 Q7Z5P4 2/20 0.38
CYP3A4 P08684 3/20 0.37
TRPV1 Q8NER1 1/20 0.36
KCNH2 Q12809 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
SCHEMBL2940712 0.91 GCGR (0.52) GCGRLIPEABL1GSK3AGSK3B
SCHEMBL2936066 0.91 GCGR (0.50) GCGRABL1GSK3AGSK3BMCHR1
SCHEMBL2942596 0.90 LIPE (0.41) GCGRLIPEABL1GSK3AGSK3B
SCHEMBL2933229 0.88 IGF1R (0.44)
SCHEMBL2936589 0.87 GCGR (0.51) GCGRABL1GSK3AGSK3BTRPV1
SCHEMBL2939936 0.87 GCGR (0.45) GCGRLIPEGSK3AGSK3BMCHR1
SCHEMBL2938222 0.86 GCGR (0.52) GCGRABL1MCHR1CYP3A4KCNH2
SCHEMBL2941101 0.85 GCGR (0.46) GCGRMCHR1CYP3A4TRPV1KCNH2
SCHEMBL2937927 0.84 GCGR (0.47) GCGRLIPEMCHR1CYP3A4TRPV1
SCHEMBL2934116 0.84 LIPE (0.44) GCGRLIPEABL1GSK3AGSK3B

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 GCGR 2462/4885LIPE 2214/4885ABL1 776/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885LIPE 3248/4885ABL1 683/4885

“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.