SCHEMBL7015052

SCHEMBL7015052

O=C(O)OC1CCN(c2nc(NCc3ccc4c(c3)OCO4)c3c4c(sc3n2)CCCC4)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
PDE5A O76074 2/20 0.48
PDE2A O00408 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 4/20 0.41
GALR2 O43603 1/20 0.40

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
SCHEMBL7015240 0.95 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPTPN12
SCHEMBL7020439 0.93 PTPN12 (0.45) PDE4APDE4BPDE4CPDE4DPTPN12
SCHEMBL7016674 0.91 PTPN12 (0.47) PDE4APDE4BPDE4CPDE4DPTPN12
SCHEMBL7015609 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPTPN12
SCHEMBL8171969 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPTPN12
SCHEMBL7009771 0.87 PDE5A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7010973 0.87 MAPT (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7018537 0.86 KMT2A (0.48) PDE5AALDH1A1MEN1KMT2ANPSR1
SCHEMBL7016750 0.86 CNR1 (0.46) PDE4APDE4BPDE4CPDE4DPTPN12
SCHEMBL7021049 0.86 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A

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-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP claimed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP claimed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO claimed
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed