SCHEMBL1821130

SCHEMBL1821130

CCOc1nc(N2CCC3(CC2)OCCO3)ccc1-c1nc2c(C)nn(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.44
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE1A P54750 4/20 0.35
PDE1B Q01064 4/20 0.35
PDE1C Q14123 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDE6C P51160 1/20 0.33

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
SCHEMBL1810064 0.91 SMN1; SMN2 (0.38) PDE5AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1813832 0.87 PDE5A (0.48) PDE5AALDH1A1KDM4EHPGDPDE1A
SCHEMBL1819682 0.87 PDE5A (0.50) PDE5AALDH1A1KDM4EHPGDPDE1A
SCHEMBL5232898 0.87 PDE5A (0.51) PDE5AALDH1A1KDM4EHPGDPDE1A
SCHEMBL1813361 0.85 PDE5A (0.46) PDE5AALDH1A1KDM4EHPGDPDE1A
SCHEMBL1814230 0.84 PDE7A (0.50) PDE5APDE1APDE1BPDE1C
SCHEMBL1815200 0.83 PDE5A (0.45) PDE5AALDH1A1KDM4EHPGDPDE1A
SCHEMBL1811777 0.83 PDE5A (0.45) PDE5AALDH1A1KDM4EHPGDPDE1A
SCHEMBL1809922 0.80 CFTR (0.41) PDE5AALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL5232000 0.80 PDE7A (0.46) PDE5ASMN1; SMN2RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943624-B2 Pyridinylpyrazolopyrimidinone derivatives as PDE 7 inhibitors ASUBIO PHARMA CO. LTD. (JP) 2011-05-17 US disclosed
EP-1636235-B1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS ASUBIO PHARMA CO LTD (JP) 2009-10-14 EP disclosed
US-20060128728-A1 Pyridinylpyrazolopyrimidinone derivatives as pde 7 inhibitors DAIICHI ASUBIO PHARMA CO., LTD (JP) 2006-06-15 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 (1 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-20060128728-A1 Pyridinylpyrazolopyrimidinone derivatives as pde 7 inhibitors PDE7A, PDE5A, PDE3A PDE5A 2/4885ALDH1A1 2683/4885KDM4E 1008/4885

“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.