SCHEMBL2939595

SCHEMBL2939595

O=C(NNc1cnccc1CN1CC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.37
KCNK10 P57789 1/20 0.37
IGF1R P08069 6/20 0.36
GAA P10253 3/20 0.35
ENPP2 Q13822 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CHRM4 P08173 1/20 0.35
KDM4D Q6B0I6 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
TAS2R8 Q9NYW2 1/20 0.33
NAMPT P43490 1/20 0.33
HDAC1 Q13547 1/20 0.33
NTRK1 P04629 1/20 0.32

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
SCHEMBL2939633 0.92 KCNK2 (0.42) KCNK2KCNK10IGF1RENPP2PPARD
SCHEMBL2939570 0.87 PPARD (0.38) GAAENPP2LMNAMAPK1PPARD
SCHEMBL2937008 0.86 IGF1R (0.39) IGF1RGAAENPP2LMNAMAPK1
SCHEMBL2937958 0.85 IGF1R (0.44) IGF1RENPP2KDM4CTAS2R8NTRK1
SCHEMBL2940347 0.85 IGF1R (0.39) IGF1RENPP2PPARDPPARATAS2R8
SCHEMBL2940442 0.84 KCNK2 (0.41) KCNK2KCNK10IGF1RLMNAMAPK1
SCHEMBL2934255 0.84 TRPV1 (0.41) IGF1RENPP2KDM4C
SCHEMBL2941266 0.84 KCNK2 (0.43) KCNK2KCNK10IGF1RHDAC1
SCHEMBL2940022 0.84 KDM4C (0.44) IGF1RENPP2PPARDPPARAKDM4D
SCHEMBL2939636 0.83 IGF1R (0.45) IGF1RNTRK1

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 KCNK2 1959/4885KCNK10 2039/4885IGF1R 1595/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA KCNK2 1732/4885KCNK10 1787/4885IGF1R 962/4885

“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.