SCHEMBL2939402

SCHEMBL2939402

O=C(Nc1ccccc1)c1cnccc1CN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
FLT1 P17948 1/20 0.46
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR3C1 P04150 1/20 0.41
ABL1 P00519 5/20 0.39
OPRM1 P35372 1/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.39
NAMPT P43490 1/20 0.38
PDE7A Q13946 1/20 0.38
TNF P01375 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38

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
SCHEMBL2940510 0.89 PPARD (0.39) KDRFLT1MAPTNR3C1ABL1
SCHEMBL2938440 0.88 PPARD (0.40) KDRFLT1NPC1RAB9AL3MBTL1
SCHEMBL2939834 0.88 PPARD (0.42) NPC1RAB9ANAMPT
SCHEMBL2941043 0.87 NPC1 (0.48) KDRNPC1RAB9A
SCHEMBL2940413 0.87 PPARD (0.39) KDRFLT1SMN1; SMN2NAMPT
SCHEMBL2942229 0.86 NPC1 (0.40) KDRFLT1NPC1RAB9ASMN1; SMN2
SCHEMBL2942835 0.86 RXFP1 (0.41) KDRFLT1SMN1; SMN2L3MBTL1NAMPT
SCHEMBL2992187 0.85 ROCK2 (0.40) NAMPT
SCHEMBL2941261 0.85 GSK3A (0.41) ABL1OPRM1KCNH2NAMPTTNF
SCHEMBL2940977 0.84 GSK3A (0.40) KDRFLT1NPC1RAB9AMAPT

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 KDR 2201/4885FLT1 1539/4885NPC1 2549/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA KDR 2403/4885FLT1 1130/4885NPC1 2042/4885

“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.