SCHEMBL4931029

SCHEMBL4931029

CCc1nn(CC)c2nccc(NC3CCCCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT5B Q4FZB7 2/20 0.38
KMT5C Q86Y97 2/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL4937428 0.89 ROCK2 (0.42) ADORA2AADORA2BKDM4EALDH1A1MEN1
SCHEMBL4951394 0.89 LRRK2 (0.39) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL5963093 0.85 KDM4E (0.35) ADORA2AADORA2BKDM4EALDH1A1MEN1
SCHEMBL4933819 0.85 POLB (0.41) KDM4EALDH1A1CDK4MEN1KMT2A
SCHEMBL4935601 0.85 ROCK2 (0.41)
SCHEMBL4935343 0.85 ROCK2 (0.41)
SCHEMBL4954967 0.85 PDE1B (0.42) ADORA2AADORA2B
SCHEMBL4952368 0.85 PDE1B (0.42) ADORA2AADORA2B
SCHEMBL4951836 0.85 GRM1 (0.33) KDM4EALDH1A1CDK4MEN1KMT2A
SCHEMBL4951407 0.84 MAPT (0.44) KDM4EALDH1A1MEN1KMT2APOLB

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-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

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 ADORA2A 740/4885ADORA2B 235/4885KDM4E 520/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ADORA2A 854/4885ADORA2B 248/4885KDM4E 234/4885

“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.