SCHEMBL3429048

SCHEMBL3429048

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.57
PDE7A Q13946 2/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49

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
SCHEMBL12122227 0.89 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL3429046 0.88 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL3430132 0.88 PDE4B (0.56) PDE4BPDE7APDE3BPDE3A
SCHEMBL13605635 0.88 PDE4B (0.59) PDE4BPDE7APDE3BPDE3A
SCHEMBL13612902 0.87 PDE4B (0.55) PDE4BPDE7APDE3BPDE3A
SCHEMBL1363897 0.87 PDE4B (0.55) PDE4BPDE7APDE3BPDE3A
SCHEMBL1315159 0.86 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL1363221 0.86 PDE4B (0.57) PDE4BPDE7APDE3BPDE3A
SCHEMBL12118623 0.86 PDE4B (0.54) PDE4BPDE7APDE3BPDE3A
Hydrochloric Acid SCHEMBL1313768 0.85 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450490-B2 Bi-functional pyrazolopyridine compounds GILEAD SCIENCES, INC. (US) 2013-05-28 US disclosed
EP-2249830-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
US-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-31 US disclosed
US-20090318494-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-24 US disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 PDE4B 1/4885PDE7A 14/4885PDE3B 4/4885
US-20090318494-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 PDE4B 1/4885PDE7A 12/4885PDE3B 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.