SCHEMBL4937610

SCHEMBL4937610

CC[C@@H](NC(=O)c1cnc2c(cnn2CC)c1NC1CCN(C(N)=O)CC1)c1cc(C)ccc1C

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.52
PDE4D Q08499 4/20 0.42
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADORA1 P30542 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
SCHEMBL4935841 0.94 PDE4B (0.52) PDE4BPDE4DNR3C1PGRADORA1
SCHEMBL4935970 0.94 PDE4B (0.52) PDE4BPDE4DNR3C1PGRADORA1
SCHEMBL4933815 0.92 PDE4B (0.53) PDE4BPDE4DNR3C1PGRADORA1
SCHEMBL4936111 0.90 PDE4B (0.49) PDE4BPDE4DNR3C1PGR
SCHEMBL4936773 0.90 PDE4B (0.49) PDE4BPDE4DNR3C1PGR
SCHEMBL4934474 0.89 PDE4B (0.55) PDE4BPDE4DADORA1
SCHEMBL4936707 0.89 PDE4B (0.54) PDE4BPDE4DADORA1
SCHEMBL4934826 0.89 PDE4B (0.64) PDE4B
SCHEMBL4936399 0.87 PDE4B (0.51) PDE4BPDE4DADORA1
SCHEMBL4927536 0.87 PDE4B (0.54) PDE4BPDE4DADORA1

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 2/4885PDE4D 7/4885NR3C1 90/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A PDE4B 1/4885PDE4D 9/4885NR3C1 827/4885

“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.