SCHEMBL4811698

SCHEMBL4811698

CCn1ncc2c(NC(C)(C)C)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cnc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.57
PDE4B Q07343 6/20 0.53
PDE5A O76074 3/20 0.51
CCR1 P32246 3/20 0.45
PGR P06401 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL4815997 0.88 PDE4B (0.67) NR3C1PDE4BPDE5APGR
SCHEMBL4814793 0.86 NR3C1 (0.58) NR3C1PDE4BPDE5APGR
SCHEMBL4815719 0.85 NR3C1 (0.55) NR3C1PDE4BPDE5ACCR1PGR
SCHEMBL4808833 0.85 NR3C1 (0.55) NR3C1PDE4BPDE5ACCR1PGR
SCHEMBL4341591 0.83 PDE4B (0.67) NR3C1PDE4B
SCHEMBL4340409 0.82 PDE4B (0.80) NR3C1PDE4B
SCHEMBL4337528 0.82 PDE4B (0.65) NR3C1PDE4B
SCHEMBL4335219 0.81 PDE4B (0.63) NR3C1PDE4B
SCHEMBL4930641 0.81 PDE4B (0.63) NR3C1PDE4BPDE5A
SCHEMBL4937171 0.80 PDE4B (0.62) NR3C1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465743-B2 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2008-12-16 US claimed
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors GLAXO GROUP LIMITED (GB) 2007-07-19 US claimed
US-7465743-B2 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2008-12-16 US disclosed
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
EP-1735315-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
WO-2005090353-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 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 (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-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors PDE3B, PDE3A, PDE4A NR3C1 359/4885PDE4B 4/4885PDE5A 8/4885

“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.