SCHEMBL1813866

SCHEMBL1813866

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
PDE7A Q13946 2/20 0.39
ROCK2 O75116 1/20 0.39
PDE7B Q9NP56 1/20 0.39
SMPD3 Q9NY59 4/20 0.36
LMNA P02545 1/20 0.35
RIPK1 Q13546 1/20 0.35
PDE5A O76074 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1815883 0.90 PDE7A (0.41) PDE7APDE7BPDE5A
SCHEMBL1813460 0.89 PDE7A (0.44) PDE7APDE7BPDE5A
SCHEMBL1813868 0.85 PDE7A (0.57) PDE7APDE7B
SCHEMBL1814076 0.84 PDE5A (0.41) PDE7APDE7BPDE5AKDM4E
SCHEMBL1815159 0.84 PDE5A (0.39) PDE7APDE7BPDE5A
SCHEMBL1809922 0.83 CFTR (0.41) PDE7APDE7BPDE5AKDM4EHSD17B10
SCHEMBL1811777 0.82 PDE5A (0.45) PDE7APDE7BPDE5AKDM4EHPGD
SCHEMBL1810064 0.82 SMN1; SMN2 (0.38) PDE7APDE7BLMNAPDE5AKDM4E
SCHEMBL1813361 0.80 PDE5A (0.46) PDE7APDE5AKDM4EHPGD
SCHEMBL5751276 0.79 SMPD3 (0.42) CKS1BSKP1SKP2PDE7APDE7B

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 CKS1B 829/4885SKP1 1076/4885SKP2 2078/4885
US-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS PDE7A, PDE5A, PDE3A CKS1B 987/4885SKP1 1104/4885SKP2 1954/4885

“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.