SCHEMBL4935591

SCHEMBL4935591

CCn1ncc2c(NC3CCN(C(C)=O)CC3)ccnc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 12/20 0.57
▸ MAPT P10636 1/20 0.46
▸ NSD2 O96028 1/20 0.45
▸ JAK2 O60674 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PRMT5 O14744 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
SCHEMBL4335687 0.91 PDE4B (0.51) PDE4BMAPTNSD2JAK2JAK3
SCHEMBL4931199 0.82 PDE4B (0.43) PDE4BNSD2KDM4EMEN1ALDH1A1
SCHEMBL4952531 0.81 PDE4B (0.42) PDE4BNSD2KDM4EMEN1ALDH1A1
SCHEMBL4494831 0.81 PDE4B (0.57) PDE4B
SCHEMBL12363597 0.80 PDE4B (0.67) PDE4BMAPTJAK2JAK3MEN1
SCHEMBL14115743 0.80 PDE4B (0.75) PDE4BJAK2JAK3
SCHEMBL4951407 0.79 MAPT (0.44) PDE4BMAPTNSD2JAK2JAK3
SCHEMBL13609638 0.79 PDE4B (0.65) PDE4BMAPTJAK2JAK3MEN1
SCHEMBL4335271 0.79 PDE4B (0.73) PDE4BJAK2JAK3
Acetic Acid SCHEMBL5962835 0.78 PDE4B (0.72) PDE4BJAK2JAK3

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-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
CN-1694882-A Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2005-11-09 — — CN 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 2/4885MAPT 4415/4885NSD2 3950/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A PDE4B 1/4885MAPT 4609/4885NSD2 2352/4885

“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.

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