SCHEMBL4927641

SCHEMBL4927641

CCn1ncc2c(NC3CCN(C(C)=O)CC3)c(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)cnc21

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.61
ADORA1 P30542 5/20 0.42
ADORA2A P29274 2/20 0.42
PDE4D Q08499 1/20 0.41

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
SCHEMBL4938375 0.91 PDE4B (0.58) PDE4BPDE4D
SCHEMBL4934810 0.90 PDE4B (0.66) PDE4BADORA1ADORA2A
SCHEMBL4936097 0.89 PDE4B (0.65) PDE4B
SCHEMBL4335219 0.86 PDE4B (0.63) PDE4BPDE4D
SCHEMBL4936116 0.83 PDE4B (0.55) PDE4BADORA1ADORA2A
SCHEMBL4934335 0.83 PDE4B (0.55) PDE4BADORA1ADORA2APDE4D
SCHEMBL4936506 0.83 PDE4B (0.55) PDE4BADORA1ADORA2APDE4D
SCHEMBL4938516 0.83 PDE4B (0.55) PDE4BADORA1PDE4D
SCHEMBL4935315 0.83 PDE4B (0.56) PDE4BADORA1ADORA2A
SCHEMBL4927857 0.82 PDE4B (0.67) PDE4BADORA1ADORA2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US claimed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
EP-1737857-A1 PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 EP disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO 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-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4B 2/4885ADORA1 285/4885ADORA2A 740/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A PDE4B 1/4885ADORA1 303/4885ADORA2A 854/4885

“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.