SCHEMBL1810064

SCHEMBL1810064

COc1nc(N2CCC3(CC2)OCCO3)ccc1-c1nc2c(C)nn(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
PDE5A O76074 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE7B Q9NP56 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL1821130 0.91 PDE5A (0.44) SMN1; SMN2TSHRALDH1A1KDM4EHPGD
SCHEMBL1809922 0.89 CFTR (0.41) ALDH1A1KDM4EHSD17B10PDE5AKMT2A
SCHEMBL1815159 0.86 PDE5A (0.39) PDE5APDE7APDE7B
SCHEMBL1814076 0.86 PDE5A (0.41) ALDH1A1KDM4EPDE5APDE7APDE7B
SCHEMBL5232000 0.85 PDE7A (0.46) SMN1; SMN2TSHRPDE5APDE7APDE7B
SCHEMBL1813460 0.84 PDE7A (0.44) PDE5APDE7APDE7B
SCHEMBL1810062 0.83 PDE7A (0.56) PDE7APDE7B
SCHEMBL1815883 0.83 PDE7A (0.41) PDE5APDE7APDE7B
SCHEMBL1813866 0.82 CKS1B (0.40) KDM4EHPGDHSD17B10PDE5ALMNA
SCHEMBL5232898 0.81 PDE5A (0.51) ALDH1A1KDM4EHPGDPDE5AKMT2A

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 SMN1; SMN2 3162/4885TSHR 1081/4885ALDH1A1 2683/4885
US-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS PDE7A, PDE5A, PDE3A SMN1; SMN2 3197/4885TSHR 1043/4885ALDH1A1 2643/4885

“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.