SCHEMBL2941741

SCHEMBL2941741

CN1CCC(C(=O)Nc2cnccc2CN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)C23CC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.47
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MAPT P10636 1/20 0.36
GLP1R P43220 1/20 0.36
GIPR P48546 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRM4 P08173 5/20 0.36
ROS1 P08922 1/20 0.36
ALK Q9UM73 1/20 0.36
ABL1 P00519 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL2938194 0.92 IGF1R (0.41) GCGRGSK3AGSK3BMAPTMEN1
SCHEMBL2938248 0.92 GCGR (0.46) GCGRGSK3AGSK3BCHRM4EPHX2
SCHEMBL2935778 0.88 IGF1R (0.46)
SCHEMBL2937927 0.87 GCGR (0.47) GCGR
SCHEMBL2941177 0.87 KMT2A (0.51) GCGRMEN1KMT2AABL1LMNA
SCHEMBL2941101 0.86 GCGR (0.46) GCGRGLP1RGIPRKCNH2
SCHEMBL2931111 0.84 IGF1R (0.41) GCGRGSK3AGSK3BCHRM4EPHX2
SCHEMBL2941203 0.84 GCGR (0.51) GCGRROS1ALK
SCHEMBL2933625 0.84 GSK3A (0.42) GCGRGSK3AGSK3BMAPTMEN1
SCHEMBL2941061 0.84 GCGR (0.45) GCGRMAPTEPHX2LMNASMN1; SMN2

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.