SCHEMBL2931709

SCHEMBL2931709

O=C1CN(Cc2ccncc2-c2ncc[nH]2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.40
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NTRK1 P04629 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2939910 0.86 IGF1R (0.39) NTRK1TAS2R8
SCHEMBL2932305 0.86 POLB (0.35) PPARDPPARAPOLBL3MBTL1NTRK1
SCHEMBL2931329 0.85 IGF1R (0.38) PPARDPPARATAS2R8SCN9AENPP2
SCHEMBL2937503 0.83 ENPP2 (0.44) PPARDPPARANTRK1TAS2R8SCN9A
SCHEMBL3727186 0.83 ABL1 (0.37) ABL1NPC1RAB9APPARDPPARA
SCHEMBL2937776 0.83 ENPP2 (0.36) PPARDPPARATAS2R8MAPTSCN9A
SCHEMBL2939521 0.82 NISCH (0.46) NPC1PPARDPPARAPOLBL3MBTL1
SCHEMBL2940706 0.82 PPARD (0.38) PPARDPPARAPOLBL3MBTL1NTRK1
SCHEMBL2939136 0.82 TAS2R8 (0.38) PPARDPPARAPOLBL3MBTL1NTRK1
SCHEMBL2938577 0.82 ENPP2 (0.38) PPARDPPARASCN9AENPP2SCN1A

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 ABL1 776/4885NPC1 2549/4885RAB9A 1706/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ABL1 683/4885NPC1 2042/4885RAB9A 2275/4885

“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.