SCHEMBL3525903

SCHEMBL3525903

Cc1c(C(C)C)nc(NCCc2cccnc2)c2n[nH]c(=O)n12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.50
GSK3A P49840 4/20 0.47
GSK3B P49841 4/20 0.47
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
GBA1 P04062 2/20 0.39
PDE9A O76083 2/20 0.39
F2 P00734 2/20 0.37
JAK2 O60674 1/20 0.37
PTK2 Q05397 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PRSS1 P07477 1/20 0.37
PDE5A O76074 1/20 0.36
JAK3 P52333 1/20 0.35

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
SCHEMBL5548429 0.88 ADORA1 (0.53) ADORA1GSK3AGSK3BINSRIGF1R
SCHEMBL5548924 0.87 ADORA1 (0.54) ADORA1GSK3AGSK3BGBA1PDE5A
SCHEMBL5543633 0.85 ADORA1 (0.50) ADORA1GSK3AGSK3BINSRIGF1R
SCHEMBL5550010 0.85 ADORA1 (0.45) ADORA1GSK3AGSK3BINSRIGF1R
SCHEMBL5548920 0.84 ADORA1 (0.50) ADORA1GSK3AGSK3BINSRIGF1R
SCHEMBL5543503 0.83 ADORA1 (0.50) ADORA1GSK3AGSK3BGBA1PDE9A
SCHEMBL5548882 0.77 ADORA1 (0.45) ADORA1GSK3AGSK3BINSRIGF1R
SCHEMBL3525368 0.76 ADORA1 (0.44) ADORA1GSK3AGSK3BINSRIGF1R
SCHEMBL5545446 0.76 ADORA1 (0.44) ADORA1GSK3AGSK3BINSRIGF1R
SCHEMBL5549322 0.75 ADORA1 (0.45) ADORA1GSK3AGSK3BINSRIGF1R

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 ADORA1 784/4885GSK3A 2/4885GSK3B 1/4885

“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.