SCHEMBL3521844

SCHEMBL3521844

CN(C)CCCNc1nc(C(C)(C)C)cn2c(=O)[nH]nc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
GSK3A P49840 12/20 0.37
GSK3B P49841 12/20 0.37
HSD17B10 Q99714 1/20 0.36
CCR6 P51684 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PKM P14618 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
SCHEMBL5543505 0.97 GSK3A (0.36) MAT2AKDM4EMAPTMAPK1NPSR1
SCHEMBL5543598 0.93 HSD17B10 (0.43) MAT2AATAD2GSK3AGSK3BHSD17B10
SCHEMBL5545590 0.86 GSK3B (0.35) GSK3AGSK3B
SCHEMBL3529268 0.86 ADORA1 (0.37) KDM4EGSK3AGSK3BHSD17B10ALDH1A1
SCHEMBL5550102 0.85 CCNE2 (0.35) BRD4GSK3AGSK3B
SCHEMBL3527204 0.84 GSK3A (0.41) KDM4ENPSR1GSK3AGSK3BPOLB
SCHEMBL5545560 0.84 GSK3A (0.37) GSK3AGSK3B
SCHEMBL5545504 0.83 GAA (0.43) GSK3AGSK3B
SCHEMBL5543665 0.82 GAA (0.40) KDM4EGFERGSK3AGSK3BHSD17B10
SCHEMBL3522887 0.81 SYK (0.34) GSK3AGSK3B

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 MAT2A 1314/4885KDM4E 769/4885MAPT 1114/4885

“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.