SCHEMBL3528033

SCHEMBL3528033

CC(C)(C)c1cn2c(=O)[nH]nc2c(NCCc2ccncc2)n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.56
GSK3A P49840 17/20 0.52
ADORA1 P30542 1/20 0.44
PGK1 P00558 1/20 0.38

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
SCHEMBL3528837 0.90 GSK3B (0.47) GSK3BGSK3AADORA1PGK1
SCHEMBL5543493 0.88 GSK3B (0.50) GSK3BGSK3AADORA1
SCHEMBL5549402 0.88 ADORA1 (0.43) GSK3BGSK3AADORA1
SCHEMBL5543524 0.88 ADORA1 (0.43) GSK3BGSK3AADORA1
SCHEMBL3525610 0.88 GSK3B (0.55) GSK3BGSK3AADORA1
SCHEMBL5545429 0.86 GSK3B (0.46) GSK3BGSK3AADORA1
SCHEMBL5549014 0.85 CA1 (0.49) ADORA1
SCHEMBL5548892 0.85 ROCK2 (0.47) GSK3BGSK3A
SCHEMBL3525341 0.84 GSK3B (0.48) GSK3BGSK3A
SCHEMBL5545556 0.84 GSK3A (0.48) GSK3BGSK3AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709473-B2 Substituted 2H-[1,2,4]triazolo[4,3-a]pyrazines as GSK-3 inhibitors PFIZER INC. (US) 2010-05-04 US claimed
US-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors BENBOW JOHN W 2007-10-25 US claimed
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP claimed
JP-2007508290-A 2007-04-05 JP claimed
EP-1678180-A1 SUBSTITUTED 2H- 1,2,4 TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS Pfizer Products Incorporated (US) 2006-07-12 EP claimed
WO-2005035532-A1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-21 WO claimed
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP 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-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885ADORA1 784/4885

“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.