SCHEMBL4330801

SCHEMBL4330801

CCn1ncc2c(NC3CCS(=O)(=O)C3)c(C(=O)O)cnc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.57
ADORA1 P30542 2/20 0.45
PDE5A O76074 1/20 0.45

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
SCHEMBL583382 0.94 PDE4B (0.62) PDE4BADORA1
SCHEMBL4330810 0.90 PDE4B (0.57) PDE4BADORA1PDE5A
SCHEMBL4340394 0.88 PDE4B (0.75) PDE4BADORA1PDE5A
SCHEMBL583383 0.88 PDE4B (0.62) PDE4BADORA1
SCHEMBL583313 0.87 PDE4B (0.70) PDE4BADORA1
SCHEMBL4338010 0.86 PDE4B (0.74) PDE4B
SCHEMBL583135 0.85 PDE4B (0.77) PDE4B
SCHEMBL583156 0.84 PDE4B (0.77) PDE4B
SCHEMBL4330916 0.84 PDE4B (0.74) PDE4B
SCHEMBL583438 0.83 PDE4B (0.65) PDE4BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A PDE4B 1/4885ADORA1 303/4885PDE5A 5/4885

“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.