SCHEMBL5962847

SCHEMBL5962847

N#Cc1ccc(CCCNC(=O)c2cnc3[nH]ncc3c2NC2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.52
JAK2 O60674 5/20 0.44
JAK1 P23458 5/20 0.44
JAK3 P52333 5/20 0.44
TYK2 P29597 4/20 0.44
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
IRAK4 Q9NWZ3 4/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5962809 0.85 PDE4B (0.53) PDE4BMAPK1
SCHEMBL5962845 0.82 PDE4B (0.54) PDE4BJAK2JAK1JAK3TYK2
SCHEMBL8342425 0.73 PDE4B (0.70) PDE4B
SCHEMBL5963166 0.72 PDE4B (0.54) PDE4BJAK2JAK1JAK3TYK2
SCHEMBL4336996 0.72 PDE4B (0.81) PDE4B
SCHEMBL3428110 0.72 PDE4B (0.69) PDE4BJAK2JAK1JAK3TYK2
SCHEMBL5962970 0.71 PDE4B (0.64) PDE4B
SCHEMBL5962805 0.69 PDE4B (0.54) PDE4BJAK2JAK1JAK3TYK2
SCHEMBL2773376 0.69 PDE4B (1.00) PDE4BJAK1JAK3
SCHEMBL4330662 0.68 PDE4B (0.72) 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 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 claimed

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 4/4885JAK2 1205/4885JAK1 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.