SCHEMBL5829062

SCHEMBL5829062

CCCC(=O)Nc1n[nH]c2cnc(-c3ccccc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 1.00
GSK3A P49840 6/20 1.00
CDK1 P06493 2/20 0.64
CDK2 P24941 1/20 0.64
CYP1A2 P05177 1/20 0.57
CCNB2 O95067 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54

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
SCHEMBL1461843 0.82 GSK3B (1.00) GSK3BGSK3ACDK1CDK2CYP1A2
SCHEMBL5404007 0.81 GSK3A (1.00) GSK3BGSK3ACDK1CDK2CCNB2
SCHEMBL4493121 0.80 GSK3B (1.00) GSK3BGSK3ACYP1A2
SCHEMBL31060453 0.80 GSK3B (1.00) GSK3BGSK3ACYP1A2
SCHEMBL5390676 0.79 GSK3B (0.69) GSK3BGSK3ACDK1CDK2
SCHEMBL1461347 0.78 GSK3B (1.00) GSK3BGSK3ACDK1CDK2CYP1A2
Cadaverine Tartrate SCHEMBL5827009 0.77 GSK3A (0.65) GSK3BGSK3ACDK1CDK2
SCHEMBL6477490 0.77 GSK3B (1.00) GSK3BGSK3ACDK1CDK2CYP1A2
SCHEMBL628628 0.77 GSK3B (0.70) GSK3BGSK3ACDK1CDK2
SCHEMBL7155632 0.74 GSK3B (0.62) GSK3BGSK3ACDK1CDK2CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105532-B2 Pyrazolo[3,4-c]pyridines as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-20040077681-A1 Pyrazolo[3,4-c]pyridines as gsk-3 inhibitors SMITHKLINE BEECHAM P.L.C (GB) 2004-04-22 US disclosed
EP-1347972-A1 PYRAZOLO 3,4-C]PYRIDINES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-10-01 EP disclosed
WO-2002050073-A1 PYRAZOLO[3,4-C]PYRIDINES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 WO 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 (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-20040077681-A1 Pyrazolo[3,4-c]pyridines as gsk-3 inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885CDK1 14/4885

“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.