SCHEMBL2940977

SCHEMBL2940977

O=C1CN(Cc2ccncc2Nc2ccccc2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CTSC P53634 1/20 0.38
ENPP2 Q13822 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
PLK1 P53350 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
LIPE Q05469 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TAS2R8 Q9NYW2 1/20 0.35
FLT1 P17948 2/20 0.35
KDR P35968 2/20 0.35
KDM4C Q9H3R0 2/20 0.34
ABL1 P00519 2/20 0.34
BCR P11274 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
SCHEMBL2940641 0.89 CCR9 (0.36) GSK3AGSK3BCTSCENPP2TP53
SCHEMBL2941043 0.89 NPC1 (0.48) GSK3AGSK3BNPC1RAB9AKDR
SCHEMBL2940696 0.88 PPARD (0.38) ENPP2PPARDPPARATAS2R8FLT1
SCHEMBL2941772 0.86 CCR9 (0.46) ENPP2PPARDPPARALIPECCR9
SCHEMBL2941261 0.86 GSK3A (0.41) GSK3AGSK3BPPARDPPARAKDM4C
SCHEMBL2937958 0.85 IGF1R (0.44) ENPP2PTGS1PTGS2TAS2R8KDM4C
SCHEMBL2934142 0.85 PPARD (0.38) GSK3AGSK3BENPP2PPARDPPARA
SCHEMBL2941399 0.85 GSK3A (0.37) GSK3AGSK3BENPP2PPARDPPARA
SCHEMBL2941770 0.85 AOC1 (0.37) ENPP2PPARDPPARALIPETAS2R8
SCHEMBL2941150 0.85 PTGS1 (0.42) ENPP2PTGS1PTGS2TAS2R8KDM4C

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 GSK3A 740/4885GSK3B 799/4885CTSC 2330/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GSK3A 659/4885GSK3B 702/4885CTSC 1797/4885

“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.