SCHEMBL5962789

SCHEMBL5962789

CCOC(=O)CCn1nc(CC)c2c(NC3CCCCC3)c(C(=O)O)cnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
PDE4B Q07343 11/20 0.51
NR2F2 P24468 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
S1PR2 O95136 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
XBP1 P17861 1/20 0.42
RAB9A P51151 1/20 0.42
PPP1CA P62136 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
NR3C1 P04150 1/20 0.38

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
SCHEMBL1471838 0.82 POLB (0.61) POLBPDE4BKMT2AADORA1ADORA2A
SCHEMBL4335779 0.77 PDE4B (0.83) POLBPDE4BADORA1ADORA2A
SCHEMBL4339847 0.74 POLB (0.49) POLBPDE4B
SCHEMBL583870 0.73 NR3C1 (0.60) POLBPDE4BNR3C1
SCHEMBL582788 0.71 POLB (0.76) POLBPDE4BNR2F2NPSR1MEN1
SCHEMBL583156 0.70 PDE4B (0.77) PDE4B
SCHEMBL583104 0.69 POLB (0.56) POLBPDE4BNR3C1
SCHEMBL583135 0.69 PDE4B (0.77) PDE4B
SCHEMBL5963217 0.68 POLB (0.70) POLBPDE4BKMT2ANR3C1
SCHEMBL1932207 0.67 PDE4B (0.53) POLBPDE4B

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 POLB 2166/4885PDE4B 4/4885NR2F2 524/4885

“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.