SCHEMBL1814010

SCHEMBL1814010

COc1nc(S(=O)(=O)N2CCCN(C)CC2)ccc1-c1nc2c(c(C3CCCCC3)nn2C)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 13/20 0.57
PDE5A O76074 7/20 0.42
PDE1A P54750 4/20 0.39
PDE1B Q01064 4/20 0.39
PDE1C Q14123 4/20 0.39
PDE7B Q9NP56 2/20 0.37

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
SCHEMBL5233100 0.86 PDE7A (0.66) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL1812116 0.86 PDE7A (0.63) PDE7APDE5APDE7B
SCHEMBL1813126 0.85 PDE7A (0.60) PDE7APDE7B
SCHEMBL1813338 0.84 PDE7A (0.58) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL1813158 0.83 PDE7A (0.62) PDE7APDE7B
SCHEMBL5237126 0.83 PDE7A (0.63) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL5231356 0.83 PDE7A (0.69) PDE7APDE5APDE1APDE1BPDE1C
Hydrochloric Acid SCHEMBL5228893 0.82 PDE7A (0.68) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL5230592 0.82 PDE7A (0.49) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL1813494 0.80 PDE7A (0.67) PDE7APDE7B

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 9 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
US-7943624-B2 Pyridinylpyrazolopyrimidinone derivatives as PDE 7 inhibitors ASUBIO PHARMA CO. LTD. (JP) 2011-05-17 US disclosed
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
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-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS ASUBIO PHARMA CO., LTD. (JP) 2007-11-22 US 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 PDE7A 1/4885PDE5A 2/4885PDE1A 111/4885
US-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS PDE7A, PDE5A, PDE3A PDE7A 1/4885PDE5A 2/4885PDE1A 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.