SCHEMBL1813832

SCHEMBL1813832

CCOc1nc(N2CCC(=O)CC2)ccc1-c1nc2c(C)nn(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.48
PDE1B Q01064 5/20 0.38
PDE1A P54750 4/20 0.38
PDE1C Q14123 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.35

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
SCHEMBL1819682 0.91 PDE5A (0.50) PDE5APDE1BPDE1APDE1CKDM4E
SCHEMBL1815159 0.90 PDE5A (0.39) PDE5AHTT
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
SCHEMBL5228298 0.85 PDE5A (0.55) PDE5APDE1BPDE1APDE1CKDM4E
SCHEMBL1813828 0.82 PDE7A (0.54) PDE5APDE1BPDE1APDE1C
SCHEMBL1814076 0.81 PDE5A (0.41) PDE5AKDM4EALDH1A1
SCHEMBL1809922 0.81 CFTR (0.41) PDE5AKDM4EMEN1ALDH1A1KMT2A

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 2/4885PDE1B 71/4885PDE1A 111/4885
US-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS PDE7A, PDE5A, PDE3A PDE5A 2/4885PDE1B 75/4885PDE1A 104/4885

“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.