SCHEMBL1819682

SCHEMBL1819682

CCOc1nc(N2CCN(C)CC2)ccc1-c1nc2c(C)nn(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.50
PTGS2 P35354 1/20 0.40
PDE1B Q01064 4/20 0.40
PDE1A P54750 3/20 0.40
PDE1C Q14123 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP1 P09874 1/20 0.39
PDE7A Q13946 2/20 0.38
PDE2A O00408 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCC5 O15440 1/20 0.38
PDE6D O43924 1/20 0.38
PDE8A O60658 1/20 0.38
PDE9A O76083 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP3A4 P08684 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
SCHEMBL1813832 0.91 PDE5A (0.48) PDE5APDE1BPDE1APDE1CKDM4E
SCHEMBL1814076 0.90 PDE5A (0.41) PDE5APTGS2KDM4EALDH1A1PARP1
SCHEMBL1813361 0.89 PDE5A (0.46) PDE5APDE1BPDE1APDE1CKDM4E
SCHEMBL1811777 0.88 PDE5A (0.45) PDE5APDE1BPDE1APDE1CKDM4E
SCHEMBL1815200 0.88 PDE5A (0.45) PDE5APDE1BPDE1APDE1CKDM4E
SCHEMBL1821130 0.87 PDE5A (0.44) PDE5APDE1BPDE1APDE1CKDM4E
SCHEMBL5229885 0.85 PDE5A (0.58) PDE5APDE1BPDE1APDE1CKDM4E
SCHEMBL1819676 0.82 PDE7A (0.54) PDE5APDE1BPDE1APDE1CPDE7A
SCHEMBL1815159 0.81 PDE5A (0.39) PDE5APARP1PDE7A
SCHEMBL1813908 0.81 PDE7A (0.53) PDE5APDE1BPDE1APDE1CPDE7A

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 4 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-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS ASUBIO PHARMA CO., LTD. (JP) 2007-11-22 US 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 (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-20060128728-A1 Pyridinylpyrazolopyrimidinone derivatives as pde 7 inhibitors PDE7A, PDE5A, PDE3A PDE5A 2/4885PTGS2 232/4885PDE1B 71/4885
US-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS PDE7A, PDE5A, PDE3A PDE5A 2/4885PTGS2 232/4885PDE1B 75/4885

“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.