SCHEMBL1813868

SCHEMBL1813868

COc1nc(N2CCC(NC(C)=O)CC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c2c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 20/20 0.57
PDE7B Q9NP56 4/20 0.57
PDE4D Q08499 2/20 0.44

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
SCHEMBL1815873 0.91 PDE7A (0.61) PDE7APDE7BPDE4D
SCHEMBL1813455 0.89 PDE7A (0.60) PDE7APDE7BPDE4D
SCHEMBL1815153 0.86 PDE7A (0.61) PDE7APDE7BPDE4D
SCHEMBL1814067 0.86 PDE7A (0.61) PDE7APDE7BPDE4D
SCHEMBL3842223 0.86 PDE7A (0.58) PDE7APDE7BPDE4D
SCHEMBL1809916 0.86 PDE7A (0.60) PDE7APDE7BPDE4D
SCHEMBL5232537 0.85 PDE7A (0.68) PDE7APDE7BPDE4D
SCHEMBL1813866 0.85 CKS1B (0.40) PDE7APDE7B
SCHEMBL1817916 0.85 PDE7A (0.59) PDE7APDE7BPDE4D
SCHEMBL1810062 0.84 PDE7A (0.56) PDE7APDE7BPDE4D

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 PDE7A 1/4885PDE7B 6/4885PDE4D 14/4885
US-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS PDE7A, PDE5A, PDE3A PDE7A 1/4885PDE7B 6/4885PDE4D 15/4885

“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.