SCHEMBL2936066

SCHEMBL2936066

O=C(Nc1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C12CC2)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.50
NAMPT P43490 2/20 0.40
F2R P25116 1/20 0.39
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
MCHR1 Q99705 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
HSD17B13 Q7Z5P4 1/20 0.37
ABL1 P00519 1/20 0.37
HDAC1 Q13547 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
GLP1R P43220 1/20 0.37
GIPR P48546 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL2936589 0.93 GCGR (0.51) GCGRNAMPTGSK3AGSK3BTRPV1
SCHEMBL2940712 0.92 GCGR (0.52) GCGRNAMPTGSK3AGSK3BTRPV1
SCHEMBL2938222 0.92 GCGR (0.52) GCGRNAMPTMCHR1ABL1GLP1R
SCHEMBL2938149 0.92 GCGR (0.48) GCGRNAMPTF2RMCHR1TRPV1
SCHEMBL2934137 0.91 GCGR (0.47) GCGRGSK3AGSK3BMCHR1TRPV1
SCHEMBL2941101 0.91 GCGR (0.46) GCGRNAMPTMCHR1TRPV1KDM4C
SCHEMBL2934476 0.90 NPC1 (0.46) GCGRNAMPTTRPV1
SCHEMBL2938673 0.90 GCGR (0.44) GCGRGSK3AGSK3BMCHR1TRPV1
SCHEMBL2937026 0.89 IGF1R (0.43) GCGRNAMPTGSK3AGSK3BTRPV1
SCHEMBL2939936 0.89 GCGR (0.45) GCGRGSK3AGSK3BMCHR1TRPV1

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 2462/4885NAMPT 1562/4885F2R 4074/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885NAMPT 1795/4885F2R 3674/4885

“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.