SCHEMBL2936252

SCHEMBL2936252

CNc1ccc2c(CN3C(=O)N(c4ccc(OC(F)(F)F)cc4)C(=O)C34CC4)ccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.43
IGF1R P08069 6/20 0.43
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 3/20 0.36
RAF1 P04049 1/20 0.36
LCK P06239 1/20 0.36
RET P07949 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
MCHR1 Q99705 6/20 0.36
NTRK1 P04629 1/20 0.34
TRPV1 Q8NER1 2/20 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
SCHEMBL2939988 0.95 IGF1R (0.44) GCGRIGF1RCYP3A4RAF1LCK
SCHEMBL2934200 0.90 IGF1R (0.54) IGF1R
SCHEMBL2931384 0.90 IGF1R (0.44) GCGRIGF1RCYP3A4MCHR1
SCHEMBL2934884 0.90 IGF1R (0.44) GCGRIGF1RCYP3A4MCHR1NTRK1
SCHEMBL2935636 0.89 IGF1R (0.43) GCGRIGF1RCYP3A4MCHR1NTRK1
SCHEMBL2940741 0.88 KDM4E (0.43) GCGRIGF1RKDM4EMAPTCYP3A4
SCHEMBL3002517 0.88 IGF1R (0.42) GCGRIGF1RCYP3A4MCHR1NTRK1
SCHEMBL2937951 0.87 GCGR (0.42) GCGRIGF1RCYP3A4KITKDR
SCHEMBL2938076 0.87 IGF1R (0.52) IGF1R
SCHEMBL2941296 0.86 IGF1R (0.60) GCGRIGF1RCYP3A4MCHR1

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 2462/4885IGF1R 1595/4885KDM4E 1619/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885IGF1R 962/4885KDM4E 1464/4885

“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.