SCHEMBL2939294

SCHEMBL2939294

CN1CCN(CC(=O)Nc2cnccc2CN2CC(=O)N(c3ccc(SC(F)(F)F)cc3)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DYRK1A Q13627 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
BRPF1 P55201 1/20 0.34
CHRM1 P11229 1/20 0.34
GSK3B P49841 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.33
WNT3A P56704 1/20 0.33

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
SCHEMBL2938091 0.88 KMT2A (0.51) ALDH1A1MEN1KMT2AATMRECQL
SCHEMBL2939137 0.87 ATM (0.37) IGF1RKDM4EALDH1A1DYRK1AMEN1
SCHEMBL2939518 0.86 IGF1R (0.44) IGF1R
SCHEMBL2936810 0.86 IGF1R (0.39) IGF1RDYRK1AGSK3B
SCHEMBL2937212 0.85 IGF1R (0.38) IGF1RKDM4EALDH1A1TDP1DYRK1A
SCHEMBL2938514 0.85 IGF1R (0.57) IGF1R
SCHEMBL2940347 0.84 IGF1R (0.39) IGF1R
SCHEMBL3729346 0.84 IGF1R (0.46) IGF1R
SCHEMBL2940022 0.83 KDM4C (0.44) IGF1R
SCHEMBL2939636 0.83 IGF1R (0.45) IGF1R

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 IGF1R 1595/4885KDM4E 1619/4885ALDH1A1 3413/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885KDM4E 1464/4885ALDH1A1 2827/4885

“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.