SCHEMBL5962738

SCHEMBL5962738

CCn1ncc2c(NC3CCOCC3)c(C(=O)NCc3cccc(CN4CCCC4)c3)cnc21

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.77
NR3C1 P04150 1/20 0.51
PDE4D Q08499 2/20 0.48

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
Trifluoroacetic Acid SCHEMBL4339756 0.95 PDE4B (0.72) PDE4BNR3C1PDE4D
SCHEMBL4338611 0.92 PDE4B (0.79) PDE4BNR3C1PDE4D
SCHEMBL4332554 0.90 PDE4B (0.83) PDE4BNR3C1PDE4D
SCHEMBL4337728 0.90 PDE4B (0.83) PDE4BNR3C1PDE4D
Trifluoroacetic Acid SCHEMBL4335287 0.90 PDE4B (0.70) PDE4BNR3C1PDE4D
SCHEMBL4335648 0.89 PDE4B (0.84) PDE4BNR3C1PDE4D
SCHEMBL5962686 0.88 PDE4B (0.80) PDE4BNR3C1PDE4D
SCHEMBL4335574 0.88 PDE4B (0.79) PDE4BNR3C1PDE4D
SCHEMBL4332624 0.88 PDE4B (0.81) PDE4BNR3C1PDE4D
SCHEMBL4332529 0.88 PDE4B (0.81) PDE4BNR3C1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A PDE4B 4/4885NR3C1 16/4885PDE4D 22/4885

“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.