SCHEMBL2940530

SCHEMBL2940530

O=C(c1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C12CC2)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.42
EPHX2 P34913 3/20 0.36
MCHR1 Q99705 6/20 0.36
CYP3A4 P08684 4/20 0.35
NAMPT P43490 2/20 0.35
ENPP2 Q13822 1/20 0.35
TP53 P04637 5/20 0.34
MDM2 Q00987 5/20 0.34

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
SCHEMBL2938170 0.92 GCGR (0.41) GCGREPHX2MCHR1CYP3A4NAMPT
SCHEMBL2941092 0.92 GCGR (0.44) GCGREPHX2MCHR1CYP3A4NAMPT
SCHEMBL3733237 0.90 IGF1R (0.42) GCGREPHX2
SCHEMBL2937940 0.90 TP53 (0.42) GCGRMCHR1CYP3A4TP53MDM2
SCHEMBL2942195 0.88 GCGR (0.47) GCGREPHX2MCHR1CYP3A4
SCHEMBL2932824 0.87 GCGR (0.45) GCGRMCHR1CYP3A4
SCHEMBL2934118 0.87 IGF1R (0.47) MCHR1
SCHEMBL2934844 0.86 IGF1R (0.45) MCHR1CYP3A4NAMPT
SCHEMBL2940023 0.85 GCGR (0.45) GCGRMCHR1CYP3A4
SCHEMBL3723623 0.85 GCGR (0.46) GCGRMCHR1CYP3A4

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 2462/4885EPHX2 3969/4885MCHR1 4505/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885EPHX2 3424/4885MCHR1 4236/4885

“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.