SCHEMBL2939633

SCHEMBL2939633

O=C(Nc1cnccc1CN1CC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 6/20 0.42
KCNK10 P57789 5/20 0.42
KDM4D Q6B0I6 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
IGF1R P08069 5/20 0.37
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ENPP2 Q13822 2/20 0.36
CHRM4 P08173 1/20 0.35
ATR Q13535 1/20 0.35
NAMPT P43490 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL2940442 0.92 KCNK2 (0.41) KCNK2KCNK10IGF1RATRTRPV1
SCHEMBL2941266 0.92 KCNK2 (0.43) KCNK2KCNK10IGF1RATRTRPV1
SCHEMBL2939595 0.92 KCNK2 (0.37) KCNK2KCNK10KDM4DKDM4CIGF1R
SCHEMBL2939129 0.90 KCNK2 (0.39) KCNK2KCNK10IGF1R
SCHEMBL2940347 0.90 IGF1R (0.39) IGF1RPPARDPPARAENPP2ATR
SCHEMBL2931865 0.90 KCNK2 (0.45) KCNK2KCNK10IGF1RTRPV1
SCHEMBL2934255 0.89 TRPV1 (0.41) KDM4CIGF1RENPP2TRPV1
SCHEMBL2939148 0.89 IGF1R (0.37) KCNK2KCNK10IGF1RENPP2ATR
SCHEMBL2940022 0.88 KDM4C (0.44) KDM4DKDM4CIGF1RPPARDPPARA
SCHEMBL2939518 0.88 IGF1R (0.44) IGF1RPPARDPPARAATR

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 2039/4885KDM4D 2688/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA KCNK2 1732/4885KCNK10 1787/4885KDM4D 2347/4885

“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.