SCHEMBL2934116

SCHEMBL2934116

O=C(Nc1cnccc1CN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.44
ABL1 P00519 8/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
HSD17B13 Q7Z5P4 2/20 0.38
KCNH2 Q12809 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CXCR3 P49682 1/20 0.37
GRM5 P41594 2/20 0.37
GCGR P47871 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2938400 0.91 LIPE (0.41) LIPEABL1GSK3AGSK3BTRPV1
SCHEMBL2941261 0.90 GSK3A (0.41) ABL1GSK3AGSK3BHSD17B13KCNH2
SCHEMBL2939129 0.88 KCNK2 (0.39) CXCR3GRM5MEN1KMT2A
SCHEMBL2943338 0.87 TP53 (0.39) CXCR3GRM5MEN1KMT2A
SCHEMBL2937930 0.86 GCGR (0.40) ABL1GSK3AGSK3BTRPV1GCGR
SCHEMBL2939385 0.86 TDP1 (0.44) LIPEABL1GSK3AGSK3BHSD17B13
SCHEMBL2939869 0.86 GCGR (0.41) ABL1GSK3AGSK3BTRPV1GCGR
SCHEMBL2934137 0.84 GCGR (0.47) LIPEABL1GSK3AGSK3BHSD17B13
SCHEMBL2938253 0.84 PPARD (0.40) GSK3AGSK3BTRPV1GCGR
SCHEMBL2934142 0.84 PPARD (0.38) GSK3AGSK3BTRPV1GCGR

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 LIPE 2214/4885ABL1 776/4885GSK3A 740/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA LIPE 3248/4885ABL1 683/4885GSK3A 659/4885

“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.