SCHEMBL3530232

SCHEMBL3530232

CC(C)(C)c1cn2c(=O)[nH]nc2c(NCCOc2cccc(C#N)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.46
GSK3B P49841 5/20 0.46
AURKA O14965 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2C P28335 2/20 0.38
TBXAS1 P24557 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CYP1A2 P05177 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5548893 0.89 GSK3A (0.49) GSK3AGSK3BAURKACYP2D6CYP3A4
SCHEMBL5550212 0.86 GSK3A (0.44) GSK3AGSK3BHTR2CCYP1A2GAA
SCHEMBL3527708 0.85 GSK3A (0.57) GSK3AGSK3BSMN1; SMN2
SCHEMBL3525341 0.84 GSK3B (0.48) GSK3AGSK3BAURKACYP2D6SMN1; SMN2
SCHEMBL3529920 0.84 GSK3A (0.61) GSK3AGSK3BSMN1; SMN2
SCHEMBL5549831 0.83 GSK3A (0.50) GSK3AGSK3BHTR2CSMN1; SMN2
SCHEMBL5550070 0.83 GSK3A (0.50) GSK3AGSK3BSMN1; SMN2
SCHEMBL5548595 0.83 GSK3B (0.48) GSK3AGSK3BGRIN1GRIN2BSMN1; SMN2
SCHEMBL5543642 0.80 GSK3B (0.46) GSK3AGSK3B
SCHEMBL5548604 0.80 GSK3A (0.48) GSK3AGSK3BAURKACYP2D6CYP3A4

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 GSK3A 2/4885GSK3B 1/4885AURKA 146/4885

“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.