SCHEMBL4339577

SCHEMBL4339577

O=C(NCc1ccccc1)c1cnc2[nH]ncc2c1NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.53
JAK1 P23458 7/20 0.50
JAK2 O60674 6/20 0.50
JAK3 P52333 6/20 0.50
TYK2 P29597 4/20 0.50
CCNB2 O95067 2/20 0.48
CCNE2 O96020 2/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNE1 P24864 2/20 0.48
CDK2 P24941 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
HPGD P15428 2/20 0.46
EPHX1 P07099 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46

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
SCHEMBL8340716 0.82 PDE4B (0.54) PDE4BJAK1JAK2JAK3TYK2
SCHEMBL4340262 0.81 PDE4B (0.54) PDE4BJAK1JAK2JAK3CCNB2
SCHEMBL4339664 0.80 PDE4B (0.66) PDE4BJAK1JAK2JAK3TYK2
SCHEMBL4336415 0.79 PDE4B (0.67) PDE4BJAK1JAK2JAK3TYK2
SCHEMBL4344231 0.79 PDE4B (0.83) PDE4B
SCHEMBL4348820 0.79 PDE4B (0.83) PDE4B
SCHEMBL4337984 0.77 PDE4B (0.85) PDE4B
SCHEMBL4339497 0.75 PDE4B (0.85) PDE4B
SCHEMBL4345837 0.74 PDE4B (0.80) PDE4BJAK1JAK3MEN1RAB9A
SCHEMBL4332714 0.73 PDE4B (0.88) PDE4B

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 7 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
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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US 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
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A PDE4B 4/4885JAK1 933/4885JAK2 1205/4885
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A PDE4B 4/4885JAK1 933/4885JAK2 1205/4885

“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.