SCHEMBL4954908

SCHEMBL4954908

CCn1ncc2c(NC3CCS(O)(O)C3)ccnc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 13/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ KAT2B Q92831 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ MAT2A P31153 1/20 0.33

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
SCHEMBL4494831 0.79 PDE4B (0.57) PDE4B
SCHEMBL4952531 0.79 PDE4B (0.42) PDE4BKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4931199 0.78 PDE4B (0.43) PDE4BKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4934686 0.78 PDE4B (0.44) PDE4BKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4947871 0.77 PDE4B (0.50) PDE4B
SCHEMBL4935591 0.77 PDE4B (0.57) PDE4BKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4330810 0.77 PDE4B (0.57) PDE4B
SCHEMBL4340404 0.74 PDE4B (0.75) PDE4BMEN1KMT2A
SCHEMBL4337206 0.72 PDE4B (0.46) PDE4BKAT2B
SCHEMBL4338018 0.72 PDE4B (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4/4885KDM4E 818/4885MEN1 4273/4885
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A PDE4B 4/4885KDM4E 818/4885MEN1 4273/4885

“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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