SCHEMBL2938248

SCHEMBL2938248

O=C(Nc1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C12CC2)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.46
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 3/20 0.38
CHRM4 P08173 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
SLC5A1 P13866 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL2941741 0.92 GCGR (0.47) GCGRGSK3AGSK3BLMNAHTT
SCHEMBL2931111 0.91 IGF1R (0.41) GCGRGSK3AGSK3BLMNAHTT
SCHEMBL2941101 0.88 GCGR (0.46) GCGRL3MBTL1TRPV1KDM4C
SCHEMBL2939784 0.88 IGF1R (0.44)
SCHEMBL2941349 0.87 GCGR (0.44) GCGR
SCHEMBL2937927 0.87 GCGR (0.47) GCGRTRPV1
SCHEMBL2941061 0.84 GCGR (0.45) GCGRLMNASMN1; SMN2EPHX2ALDH1A1
SCHEMBL2936066 0.84 GCGR (0.50) GCGRGSK3AGSK3BTRPV1KDM4C
SCHEMBL2934476 0.83 NPC1 (0.46) GCGRTRPV1
SCHEMBL2938673 0.83 GCGR (0.44) GCGRGSK3AGSK3BTRPV1KDM4C

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 2462/4885GSK3A 740/4885GSK3B 799/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885GSK3A 659/4885GSK3B 702/4885

“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.