SCHEMBL13612902

SCHEMBL13612902

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1NCl

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.55
PDE7A Q13946 2/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL1363897 0.87 PDE4B (0.55) PDE4BPDE7APDE3BPDE3A
SCHEMBL3429048 0.87 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL12122227 0.87 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL13605635 0.86 PDE4B (0.59) PDE4BPDE7APDE3BPDE3A
SCHEMBL3429046 0.86 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL3430132 0.86 PDE4B (0.56) PDE4BPDE7APDE3BPDE3A
SCHEMBL1363221 0.84 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL1315159 0.84 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL12118623 0.84 PDE4B (0.54) PDE4BPDE7APDE3BPDE3A
Hydrochloric Acid SCHEMBL1362149 0.83 PDE4B (0.56) PDE4BPDE7APDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-31 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-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 PDE4B 1/4885PDE7A 14/4885PDE3B 4/4885

“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.