SCHEMBL4933819

SCHEMBL4933819

CCc1nn(CC)c2nccc(NC3CCC(C(C)=O)CC3)c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.38
GRM1 Q13255 2/20 0.36
JAK3 P52333 2/20 0.33
CDK4 P11802 1/20 0.33
KDR P35968 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
LRRK2 Q5S007 2/20 0.33
PDE4B Q07343 1/20 0.32
PDE7A Q13946 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL4951407 0.86 MAPT (0.44) POLBJAK3KDRKDM4EMEN1
SCHEMBL4931029 0.85 ADORA2A (0.39) POLBCDK4KDM4EMEN1ALDH1A1
SCHEMBL4951394 0.82 LRRK2 (0.39) POLBKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4937428 0.82 ROCK2 (0.42) POLBGRM1JAK3KDM4EMEN1
SCHEMBL5963533 0.79 POLB (0.36) POLBHSP90AA1GRM1JAK3CDK4
SCHEMBL4954967 0.78 PDE1B (0.42) LRRK2
SCHEMBL4951836 0.78 GRM1 (0.33) POLBHSP90AA1GRM1CDK4KDR
SCHEMBL4952368 0.78 PDE1B (0.42) LRRK2
SCHEMBL4935343 0.78 ROCK2 (0.41)
SCHEMBL4951461 0.70 LRRK2 (0.44) GRM1LRRK2PDE4BPDE7A

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 POLB 1918/4885HSP90AA1 4214/4885GRM1 3304/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A POLB 1575/4885HSP90AA1 4629/4885GRM1 3663/4885

“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.