SCHEMBL3527708

SCHEMBL3527708

Cc1ccc(OCCNc2nc(C(C)(C)C)cn3c(=O)[nH]nc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 14/20 0.57
GSK3B P49841 14/20 0.57
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL3529920 0.93 GSK3A (0.61) GSK3AGSK3BRAB9AALDH1A1KDM4E
SCHEMBL5550070 0.92 GSK3A (0.50) GSK3AGSK3BRAB9AALDH1A1KDM4E
SCHEMBL5549831 0.92 GSK3A (0.50) GSK3AGSK3BRAB9ALMNAHTT
SCHEMBL5548893 0.92 GSK3A (0.49) GSK3AGSK3BRAB9AKMT2ALMNA
SCHEMBL3525341 0.91 GSK3B (0.48) GSK3AGSK3BRAB9ALMNAHTT
SCHEMBL5548604 0.90 GSK3A (0.48) GSK3AGSK3BRAB9ALMNAHTT
SCHEMBL5548595 0.87 GSK3B (0.48) GSK3AGSK3BALDH1A1KDM4ELMNA
SCHEMBL3521643 0.85 GSK3A (0.43) GSK3AGSK3BKMT2ASMN1; SMN2
SCHEMBL5549009 0.85 GSK3A (0.43) GSK3AGSK3BRAB9AALDH1A1KDM4E
SCHEMBL3530232 0.85 GSK3A (0.46) GSK3AGSK3BSMN1; SMN2

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 3 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

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 1/4885RAB9A 1347/4885

“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.