SCHEMBL4931301

SCHEMBL4931301

CC[C@@H](NC(=O)c1cnc2c(cnn2CC)c1NC1CCC(C(N)=O)CC1)c1ccc(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.51
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ADORA1 P30542 1/20 0.43
PDE4D Q08499 4/20 0.42

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
SCHEMBL4933765 1.00 PDE4B (0.51) PDE4BNR3C1PGRADORA1PDE4D
SCHEMBL4931295 1.00 PDE4B (0.51) PDE4BNR3C1PGRADORA1PDE4D
SCHEMBL4935550 0.94 PDE4B (0.49) PDE4BNR3C1PGRPDE4D
SCHEMBL4935555 0.94 PDE4B (0.49) PDE4BNR3C1PGRPDE4D
SCHEMBL4936389 0.93 PDE4B (0.52) PDE4BNR3C1PGRADORA1PDE4D
SCHEMBL4927710 0.91 PDE4B (0.59) PDE4BPDE4D
SCHEMBL4935841 0.90 PDE4B (0.52) PDE4BNR3C1PGRADORA1PDE4D
SCHEMBL4935970 0.90 PDE4B (0.52) PDE4BNR3C1PGRADORA1PDE4D
SCHEMBL14533688 0.89 PDE4B (0.51) PDE4BNR3C1PGRADORA1PDE4D
SCHEMBL4934526 0.89 PDE4B (0.51) PDE4BNR3C1PGRADORA1PDE4D

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 3 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

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 2/4885NR3C1 90/4885PGR 619/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A PDE4B 1/4885NR3C1 827/4885PGR 1443/4885

“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.