SCHEMBL2568080

SCHEMBL2568080

CCOc1ccccc1-c1nc(C(C)C)c(NC(C)=O)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.53
PDE5A O76074 15/20 0.49
PDE1A P54750 5/20 0.46
PDE1B Q01064 5/20 0.46
PDE1C Q14123 5/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2562186 0.82 GUSB (0.59) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL2564939 0.81 GUSB (0.60) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL2567594 0.80 GUSB (0.59) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL2559792 0.80 GUSB (0.59) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL16198802 0.78 PDE5A (0.51) PDE5APDE1APDE1BPDE1C
SCHEMBL2566308 0.77 PDE5A (0.74) PDE5APDE1APDE1BPDE1C
SCHEMBL2564934 0.72 PDE5A (0.59) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL2562540 0.71 PDE5A (0.66) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL2566057 0.70 PDE5A (0.60) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL2559812 0.70 GUSB (0.55) GUSBPDE5APDE1APDE1BPDE1C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383262-B1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2016-07-06 EP disclosed
EP-2383262-B1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2016-07-06 EP disclosed
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 US disclosed
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 US disclosed
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 US disclosed
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 EP disclosed