SCHEMBL3526263

SCHEMBL3526263

CC(C)Nc1nccn2c(=O)[nH]nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
FLT3 P36888 2/20 0.41
TTK P33981 2/20 0.40
LRRK2 Q5S007 4/20 0.39
LTK P29376 2/20 0.37
ALK Q9UM73 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
GRK5 P34947 1/20 0.37
CDK8 P49336 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MST1R Q04912 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CCNE1 P24864 6/20 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
SCHEMBL3527492 0.76 PDE3B (0.48) PDE3BPDE3ALRRK2LTKALK
SCHEMBL16447534 0.74 PDE3B (0.51) PDE3BPDE3ALRRK2LTKALK
SCHEMBL3523063 0.74 PDE5A (0.47) GSK3AGSK3BCCNE1CDK2
SCHEMBL3524484 0.74 PDE5A (0.33) LRRK2LTKALKDYRK1BRET
SCHEMBL5548540 0.71 PDE5A (0.32) GSK3AGSK3B
SCHEMBL3523002 0.71 HCAR2 (0.34) LRRK2LTKALKDYRK1BRET
SCHEMBL17796160 0.70 PDE3B (0.51) PDE3BPDE3ALRRK2LTKALK
SCHEMBL3527613 0.70 PDE3B (0.48) PDE3BPDE3ALRRK2LTKALK
SCHEMBL3524745 0.69 SYK (0.39) GSK3AGSK3B
SCHEMBL3523302 0.69 CCNE1 (0.36) PDE3BPDE3ATTKCCNE1CDK2

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 2 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

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 PDE3B 795/4885PDE3A 599/4885FLT3 316/4885

“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.