SCHEMBL2933936

SCHEMBL2933936

O=C(Nc1ccccc1)Nc1cnccc1CN1CC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
IGF1R P08069 2/20 0.38
IDH2 P48735 6/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
ENPP2 Q13822 2/20 0.35
CYP2C9 P11712 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
IMPDH2 P12268 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
SCHEMBL2938574 0.90 NAMPT (0.49) NAMPTIGF1RCYP2C9TRPV1
SCHEMBL2941066 0.89 IGF1R (0.38) NAMPTIGF1RRXFP1ENPP2CYP2C9
SCHEMBL2941150 0.89 PTGS1 (0.42) NAMPTIGF1RRXFP1ENPP2
SCHEMBL2936854 0.89 IGF1R (0.39) NAMPTIGF1RRXFP1ENPP2
SCHEMBL2939885 0.88 KDM4C (0.41) NAMPTIGF1RALDH1A1ENPP2
SCHEMBL2942835 0.88 RXFP1 (0.41) NAMPTIGF1RRXFP1ENPP2TRPV1
SCHEMBL2941059 0.87 MEN1 (0.39) NAMPTIGF1RALDH1A1RXFP1ENPP2
SCHEMBL2934527 0.87 IGF1R (0.37) NAMPTIGF1RALDH1A1HPGDRXFP1
SCHEMBL2936859 0.87 IGF1R (0.39) NAMPTIGF1RRXFP1ENPP2
SCHEMBL2941043 0.86 NPC1 (0.48) IGF1RNPC1RAB9A

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 NAMPT 1562/4885IGF1R 1595/4885IDH2 2895/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA NAMPT 1795/4885IGF1R 962/4885IDH2 2662/4885

“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.