SCHEMBL2940316

SCHEMBL2940316

CNc1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C12CC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.45
MCHR1 Q99705 9/20 0.38
CYP3A4 P08684 5/20 0.38
IGF1R P08069 3/20 0.36
TRPV1 Q8NER1 1/20 0.34
KCNH2 Q12809 1/20 0.34
EBP Q15125 1/20 0.34
AOC1 P19801 1/20 0.34
AOC3 Q16853 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2936692 0.91 GCGR (0.44) GCGRMCHR1CYP3A4IGF1RKCNH2
SCHEMBL2942838 0.90 GCGR (0.45) GCGRMCHR1CYP3A4IGF1RKCNH2
SCHEMBL2939107 0.90 GCGR (0.42) GCGRMCHR1CYP3A4IGF1R
SCHEMBL2936824 0.89 GCGR (0.45) GCGRMCHR1CYP3A4IGF1R
SCHEMBL2937927 0.89 GCGR (0.47) GCGRMCHR1CYP3A4IGF1RTRPV1
SCHEMBL2990100 0.89 IGF1R (0.48) IGF1R
SCHEMBL2941101 0.88 GCGR (0.46) GCGRMCHR1CYP3A4TRPV1KCNH2
SCHEMBL2939915 0.88 GCGR (0.45) GCGRMCHR1CYP3A4IGF1RKCNH2
SCHEMBL2931386 0.88 GCGR (0.45) GCGRMCHR1CYP3A4IGF1RKCNH2
SCHEMBL2941386 0.88 GCGR (0.41) GCGRMCHR1CYP3A4IGF1RTRPV1

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 2462/4885MCHR1 4505/4885CYP3A4 2988/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885MCHR1 4236/4885CYP3A4 2877/4885

“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.