SCHEMBL3526413

SCHEMBL3526413

CC(C)(C)c1cn2c(=O)[nH]nc2c(NCCNS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HMOX1 P09601 1/20 0.41
ALDH1A1 P00352 7/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GBA1 P04062 1/20 0.38
ADORA1 P30542 2/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5545556 0.81 GSK3A (0.48) ADORA1GSK3AGSK3B
SCHEMBL3528788 0.81 GSK3B (0.34) ADORA1GSK3AGSK3B
SCHEMBL5548893 0.80 GSK3A (0.49) KMT2ALMNAADORA1HTTSMN1; SMN2
SCHEMBL5543567 0.80 ADORA1 (0.47) ADORA1GSK3AGSK3B
SCHEMBL5545590 0.79 GSK3B (0.35) ADORA1GSK3AGSK3B
SCHEMBL3529268 0.79 ADORA1 (0.37) KDM4EALDH1A1HSD17B10ADORA1GSK3A
SCHEMBL5548625 0.79 ADORA1 (0.41) PKMKDM4EKMT2AALDH1A1MAPT
SCHEMBL5545517 0.78 GSK3B (0.54) TDP1ALDH1A1LMNAADORA1HTT
SCHEMBL5550132 0.78 ILK (0.35) KDM4EKMT2ATDP1ALDH1A1MEN1
SCHEMBL3523483 0.77 NPC1 (0.41) KMT2AALDH1A1MAPTLMNAMEN1

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 PKM 894/4885KDM4E 769/4885KMT2A 822/4885

“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.