SCHEMBL5963166

SCHEMBL5963166

O=C(NCCC1CCN(C(=O)C2CC2)CC1)c1cnc2[nH]ncc2c1NC1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.54
DYRK1A Q13627 1/20 0.42
JAK1 P23458 2/20 0.39
PAK1 Q13153 1/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL8342425 0.74 PDE4B (0.70) PDE4B
SCHEMBL4335557 0.73 PDE4B (0.80) PDE4B
SCHEMBL3428110 0.73 PDE4B (0.69) PDE4BJAK1JAK2TYK2JAK3
SCHEMBL5962809 0.73 PDE4B (0.53) PDE4BDYRK1A
SCHEMBL5962847 0.72 PDE4B (0.52) PDE4BJAK1JAK2TYK2JAK3
SCHEMBL2773376 0.70 PDE4B (1.00) PDE4BJAK1JAK3
SCHEMBL4334198 0.70 PDE4B (0.85) PDE4B
SCHEMBL4341843 0.69 PDE4B (0.74) PDE4B
SCHEMBL4332522 0.68 PDE4B (0.85) PDE4B
SCHEMBL13705858 0.67 LMNA (0.56) PDE4BJAK1JAK2TYK2JAK3

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 4/4885DYRK1A 2986/4885JAK1 933/4885

“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.