SCHEMBL3521775

SCHEMBL3521775

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.36
GSK3A P49840 17/20 0.36
ADORA1 P30542 1/20 0.34
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
ERN1 O75460 1/20 0.33
RPS6KA4 O75676 1/20 0.33
PRKD3 O94806 1/20 0.33
CDK1 P06493 1/20 0.33
KIT P10721 1/20 0.33
CDK11B P21127 1/20 0.33
CDK2 P24941 1/20 0.33
TYK2 P29597 1/20 0.33
CSNK1D P48730 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
LIMK1 P53667 1/20 0.33
CDK16 Q00536 1/20 0.33
MAPK7 Q13164 1/20 0.33
CDK13 Q14004 1/20 0.33

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
SCHEMBL3529268 0.88 ADORA1 (0.37) GSK3BGSK3AADORA1
SCHEMBL5545590 0.88 GSK3B (0.35) GSK3BGSK3AADORA1
SCHEMBL5543598 0.85 HSD17B10 (0.43) GSK3BGSK3AADORA1
SCHEMBL3525674 0.85 GSK3B (0.42) GSK3BGSK3AADORA1
SCHEMBL3522887 0.85 SYK (0.34) GSK3BGSK3AADORA1
SCHEMBL5545643 0.85 GSK3B (0.34) GSK3BGSK3AADORA1
SCHEMBL3528788 0.84 GSK3B (0.34) GSK3BGSK3AADORA1
SCHEMBL5545560 0.83 GSK3A (0.37) GSK3BGSK3A
SCHEMBL5550132 0.83 ILK (0.35) GSK3BGSK3AADORA1IKBKBCHUK
SCHEMBL3527204 0.83 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 2/4885ADORA1 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.