SCHEMBL1815159

SCHEMBL1815159

COc1nc(N2CCC(=O)CC2)ccc1-c1nc2c(C)nn(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.39
PDE7A Q13946 1/20 0.39
PDE7B Q9NP56 1/20 0.39
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
EGFR P00533 1/20 0.35
HTT P42858 1/20 0.35
PARP1 P09874 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
SCHEMBL1814076 0.91 PDE5A (0.41) PDE5APDE7APDE7BPARP1
SCHEMBL1813832 0.90 PDE5A (0.48) PDE5AHTT
SCHEMBL1809922 0.90 CFTR (0.41) PDE5APDE7APDE7BHTT
SCHEMBL1813460 0.89 PDE7A (0.44) PDE5APDE7APDE7B
SCHEMBL1815883 0.87 PDE7A (0.41) PDE5APDE7APDE7B
SCHEMBL1810064 0.86 SMN1; SMN2 (0.38) PDE5APDE7APDE7B
SCHEMBL1813866 0.84 CKS1B (0.40) PDE5APDE7APDE7B
SCHEMBL5231566 0.84 PDE7A (0.48) PDE5APDE7APDE7B
SCHEMBL1815153 0.81 PDE7A (0.61) PDE7APDE7B
SCHEMBL1819682 0.81 PDE5A (0.50) PDE5APDE7APARP1

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-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS ASUBIO PHARMA CO., LTD. (JP) 2007-11-22 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-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS PDE7A, PDE5A, PDE3A PDE5A 2/4885PDE7A 1/4885PDE7B 6/4885

“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.