SCHEMBL1815416

SCHEMBL1815416

COc1nc(N2CCC(=O)CC2)ccc1-c1nc2c(c(-c3ccccc3)nn2C)c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.39
PARP1 P09874 2/20 0.38
PDE7A Q13946 1/20 0.38
ROCK2 O75116 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
EGFR P00533 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL1813165 0.92 PDE5A (0.39) PDE5APARP1PDE7AKDM4EALDH1A1
SCHEMBL1813123 0.90 PRKAB2 (0.41) PDE5APARP1PDE7AROCK2KDM4E
SCHEMBL1812893 0.89 PDE7A (0.40) PDE5APARP1PDE7AROCK2KDM4E
SCHEMBL1812095 0.89 PDE7A (0.42) PDE5APARP1PDE7AROCK2ALDH1A1
SCHEMBL1812617 0.87 ROCK2 (0.40) PDE5APARP1PDE7AROCK2ALDH1A1
SCHEMBL1813961 0.87 PDE7A (0.41) PDE5APARP1PDE7AROCK2KDM4E
SCHEMBL1816185 0.87 LMNA (0.37) PDE5APARP1PDE7AKDM4EALDH1A1
SCHEMBL1816426 0.84 CKS1B (0.47) PDE5APDE7AROCK2ALDH1A1HPGD
SCHEMBL5234605 0.83 PDE7A (0.47) PDE5APDE7AKDM4EALDH1A1HPGD
SCHEMBL1813498 0.82 PDE5A (0.43) PDE5APARP1PDE7AKDM4EGRM5

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 2/4885PARP1 1973/4885PDE7A 1/4885
US-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS PDE7A, PDE5A, PDE3A PDE5A 2/4885PARP1 1948/4885PDE7A 1/4885

“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.