SCHEMBL3524546

SCHEMBL3524546

CCOC(=O)N1CCC(Nc2nc(C(C)(C)C)cn3c(=O)[nH]nc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
NOS2 P35228 5/20 0.44
NOS1 P29475 4/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NOS3 P29474 2/20 0.42
LMNA P02545 1/20 0.41
NR2F2 P24468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3530206 0.80 BRD4 (0.36) HSD17B10
SCHEMBL5548896 0.69 GRK6 (0.34) CDK2
SCHEMBL12846153 0.69 NOS2 (0.57) ALDH1A1MAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL5549024 0.68 KAT2B (0.41) LMNA
SCHEMBL3522851 0.68 CXCR2 (0.35) CDK1
SCHEMBL5548540 0.68 PDE5A (0.32) MAPTKDM4EATMNPC1RAB9A
SCHEMBL764570 0.67 ALDH1A1 (0.65) ALDH1A1MAPTKDM4ENOS2NOS1
SCHEMBL5548887 0.67 KAT2B (0.40) MAPTSMN1; SMN2TSHRHTTMEN1
SCHEMBL5543665 0.67 GAA (0.40) ALDH1A1KDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL12846182 0.66 NOS2 (0.53) ALDH1A1MAPTKDM4ESMN1; SMN2HSD17B10

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 11 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 claimed
US-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors BENBOW JOHN W 2007-10-25 US claimed
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 claimed
JP-2007508290-A 2007-04-05 JP claimed
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 claimed
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 claimed
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 ALDH1A1 1164/4885MAPT 1114/4885KDM4E 769/4885

“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.