SCHEMBL4339500

SCHEMBL4339500

CCn1ncc2c(Cl)c(C(=O)N3CCCC3)cnc21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.60
NR3C1 P04150 7/20 0.55
PGR P06401 1/20 0.50
PDE5A O76074 1/20 0.42
MGLL Q99685 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
SCHEMBL582299 0.81 NR3C1 (0.61) PDE4BNR3C1PGRPDE5A
SCHEMBL3282653 0.81 NR3C1 (0.61) PDE4BNR3C1PGRPDE5A
SCHEMBL9835005 0.81 NR3C1 (0.61) PDE4BNR3C1PGRPDE5A
Hydrochloric Acid SCHEMBL7008243 0.80 NR3C1 (0.60) PDE4BNR3C1PGRPDE5A
SCHEMBL4338013 0.80 NR3C1 (0.60) PDE4BNR3C1PGRPDE5A
SCHEMBL4330302 0.78 PDE4B (0.85) PDE4B
SCHEMBL4341828 0.78 NR3C1 (0.71) PDE4BNR3C1PGRPDE5A
SCHEMBL4344843 0.78 PDE4B (0.83) PDE4B
SCHEMBL4344848 0.78 PDE4B (0.68) PDE4BNR3C1PDE5A
SCHEMBL582528 0.77 PDE4B (0.65) PDE4BNR3C1PGRPDE5A

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
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-04-27 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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A PDE4B 4/4885NR3C1 16/4885PGR 566/4885
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A PDE4B 4/4885NR3C1 16/4885PGR 566/4885

“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.