SCHEMBL4954967

SCHEMBL4954967

CCc1nn(CC)c2nccc(N[C@@H]3CCOC3)c12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 10/20 0.42
PDE1C Q14123 8/20 0.42
PDE1A P54750 7/20 0.42
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
BRD4 O60885 2/20 0.36
SYK P43405 1/20 0.35
MKNK1 Q9BUB5 3/20 0.34
MKNK2 Q9HBH9 3/20 0.34
LRRK2 Q5S007 2/20 0.34

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
SCHEMBL4952368 1.00 PDE1B (0.42) PDE1BPDE1CPDE1AADORA3ADORA2A
SCHEMBL4951394 0.93 LRRK2 (0.39) PDE1BPDE1CPDE1ALRRK2
SCHEMBL4931029 0.85 ADORA2A (0.39) ADORA2AADORA2B
SCHEMBL4937428 0.82 ROCK2 (0.42) ADORA2AADORA2BBRD4
SCHEMBL4951461 0.81 LRRK2 (0.44) PDE1BBRD4LRRK2
SCHEMBL4935601 0.80 ROCK2 (0.41) BRD4MKNK1MKNK2
SCHEMBL4935343 0.80 ROCK2 (0.41) BRD4MKNK1MKNK2
SCHEMBL4951836 0.80 GRM1 (0.33)
SCHEMBL4933819 0.78 POLB (0.41) LRRK2
SCHEMBL4951407 0.78 MAPT (0.44) BRD4LRRK2

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 PDE1B 210/4885PDE1C 203/4885PDE1A 172/4885
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A PDE1B 210/4885PDE1C 203/4885PDE1A 172/4885

“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.