SCHEMBL3525101

SCHEMBL3525101

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.35
GSK3A P49840 17/20 0.35
PDE5A O76074 2/20 0.35
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 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
SCHEMBL3526716 0.81 LTK (0.35) GSK3BGSK3APDE5A
SCHEMBL5548540 0.76 PDE5A (0.32) GSK3BGSK3APDE5A
SCHEMBL3528537 0.76 PDE5A (0.54) GSK3BGSK3APDE5APDE1APDE1B
SCHEMBL5545643 0.75 GSK3B (0.34) GSK3BGSK3APDE5A
SCHEMBL5545590 0.73 GSK3B (0.35) GSK3BGSK3A
SCHEMBL3529268 0.73 ADORA1 (0.37) GSK3BGSK3A
SCHEMBL3521775 0.73 GSK3B (0.36) GSK3BGSK3A
SCHEMBL5543493 0.72 GSK3B (0.50) GSK3BGSK3A
SCHEMBL5543587 0.72 GSK3B (0.39) GSK3BGSK3A
SCHEMBL3527204 0.72 GSK3A (0.41) GSK3BGSK3A

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 5 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 disclosed
US-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors BENBOW JOHN W 2007-10-25 US disclosed
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
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 disclosed
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 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 2/4885PDE5A 729/4885

“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.