SCHEMBL3528537

SCHEMBL3528537

O=c1[nH]nc2c(Cl)nc(Br)cn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.54
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 16/20 0.37
GSK3A P49840 15/20 0.37
RET P07949 1/20 0.34
MET P08581 1/20 0.34
LTK P29376 1/20 0.34
GRK5 P34947 1/20 0.34
CDK8 P49336 1/20 0.34
RPS6KA3 P51812 1/20 0.34
MST1R Q04912 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ALK Q9UM73 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 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
SCHEMBL3525101 0.76 GSK3B (0.35) PDE5AGSK3BGSK3APDE1APDE1B
SCHEMBL3524705 0.73 PDE5A (0.51) PDE5ACCNE1CDK2GSK3BRET
SCHEMBL20772377 0.72 PDE5A (0.40) PDE5AGSK3BGSK3ARETMET
SCHEMBL3523063 0.72 PDE5A (0.47) PDE5ACCNE1CDK2GSK3BGSK3A
SCHEMBL20778099 0.70 PDE5A (0.38) PDE5AGSK3BGSK3ARETMET
SCHEMBL17796160 0.68 PDE3B (0.51) CCNE1CDK2GSK3BGSK3ARET
SCHEMBL4493782 0.66 GSK3B (0.39) PDE5AGSK3BGSK3ARETMET
SCHEMBL20775404 0.66 GSK3A (0.45) PDE5AGSK3BGSK3A
SCHEMBL20772917 0.66 L3MBTL1 (0.41) PDE5AGSK3BGSK3ARETMET
SCHEMBL17141130 0.66 PDE5A (0.40) PDE5AGSK3BGSK3ARETMET

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 PDE5A 729/4885CCNE1 272/4885CDK2 12/4885

“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.