Sugi Predict

Sugi Predict / Compounds / SCHEMBL4937428

SCHEMBL4937428

SCHEMBL4937428

CCc1nn(CC)c2nccc(NC3CCNCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ CDC42BPB Q9Y5S2 2/20 0.42
▸ PDE5A O76074 1/20 0.39
▸ KHK P50053 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ ATAD2 Q6PL18 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 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
SCHEMBL4935343 0.93 ROCK2 (0.41) ROCK2ROCK1CDC42BPBPDE5AHRH3
SCHEMBL4935601 0.93 ROCK2 (0.41) ROCK2ROCK1CDC42BPBPDE5AHRH3
SCHEMBL4931029 0.89 ADORA2A (0.39) KDM4EMEN1ALDH1A1KMT2APOLB
SCHEMBL5963533 0.87 POLB (0.36) ROCK2ROCK1CDC42BPBPDE5AKHK
SCHEMBL4951394 0.86 LRRK2 (0.39) MAPK1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4933819 0.82 POLB (0.41) KDM4EMEN1ALDH1A1KMT2APOLB
SCHEMBL5963093 0.82 KDM4E (0.35) KDM4EMEN1ALDH1A1KMT2APOLB
SCHEMBL4951836 0.82 GRM1 (0.33) KDM4EMEN1ALDH1A1KMT2APOLB
SCHEMBL4954967 0.82 PDE1B (0.42) BRD4ADORA2AADORA2B
SCHEMBL4952368 0.82 PDE1B (0.42) BRD4ADORA2AADORA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-06 — — US disclosed
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 (3 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 ROCK2 330/4885ROCK1 141/4885CDC42BPB 374/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ROCK2 397/4885ROCK1 195/4885CDC42BPB 1208/4885
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors PDE4B, PDE3B, PDE4A ROCK2 68/4885ROCK1 98/4885CDC42BPB 541/4885

“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.