SCHEMBL3524705

SCHEMBL3524705

O=c1[nH]nc2c(Cl)nc(-c3ccccc3)cn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.51
CLK4 Q9HAZ1 3/20 0.51
PIM1 P11309 2/20 0.51
CSNK1D P48730 2/20 0.51
CLK2 P49760 2/20 0.51
STK3 Q13188 2/20 0.51
RPS6KB1 P23443 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
DYRK1A Q13627 2/20 0.49
RET P07949 1/20 0.49
MET P08581 1/20 0.49
LTK P29376 1/20 0.49
GRK5 P34947 1/20 0.49
CDK8 P49336 1/20 0.49
RPS6KA3 P51812 1/20 0.49
MST1R Q04912 1/20 0.49
TYRO3 Q06418 1/20 0.49
LRRK2 Q5S007 1/20 0.49
ALK Q9UM73 1/20 0.49
DYRK1B Q9Y463 1/20 0.49

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
SCHEMBL3522789 0.82 PDE5A (0.58) PDE5ACLK4PIM1CSNK1DCLK2
SCHEMBL3524781 0.76 CLK4 (0.45) PDE5ACLK4PIM1CSNK1DCLK2
SCHEMBL3525385 0.74 PDE5A (0.43) PDE5ACLK4PIM1CSNK1DCLK2
SCHEMBL3528537 0.73 PDE5A (0.54) PDE5ACLK4DYRK1ARETMET
SCHEMBL3525101 0.70 GSK3B (0.35) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5548886 0.69 MAPK8 (0.38) CLK4PIM1CSNK1DCLK2STK3
SCHEMBL8240495 0.69 CLK4 (0.43) CLK4PIM1CSNK1DCLK2STK3
SCHEMBL8240027 0.69 CLK4 (0.40) CLK4PIM1CSNK1DCLK2STK3
SCHEMBL13825030 0.68 LTK (0.46) PDE5ACLK4PIM1CSNK1DCLK2
SCHEMBL9647237 0.68 GABRA1 (0.55) CLK4PIM1CSNK1DCLK2STK3

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 729/4885CLK4 1348/4885PIM1 508/4885

“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.