SCHEMBL1963382

SCHEMBL1963382

CC1(C)CN(CC(O)c2ccccc2)c2nc(-c3ccncc3)nc(=O)n2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
S1PR1 P21453 1/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
NR2F2 P24468 1/20 0.32
STAT3 P40763 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
MAP4K4 O95819 1/20 0.32
CDK1 P06493 1/20 0.32
CSF1R P07333 1/20 0.32
PRKACA P17612 1/20 0.32
FLT1 P17948 1/20 0.32

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
SCHEMBL1963381 1.00 GSK3B (0.40) GSK3BS1PR1HTTPKMPIK3R1
SCHEMBL1963380 1.00 GSK3B (0.40) GSK3BS1PR1HTTPKMPIK3R1
SCHEMBL4870979 0.85 GSK3B (0.51) GSK3BPIK3R1PIK3CAROCK2MAP4K4
SCHEMBL4870985 0.85 GSK3B (0.51) GSK3BPIK3R1PIK3CAROCK2MAP4K4
SCHEMBL4870991 0.85 GSK3B (0.51) GSK3BPIK3R1PIK3CAROCK2MAP4K4
Hydrochloric Acid SCHEMBL4872469 0.84 GSK3B (0.50) GSK3BPIK3R1PIK3CAROCK2MAP4K4
Hydrochloric Acid SCHEMBL4872474 0.84 GSK3B (0.50) GSK3BPIK3R1PIK3CAROCK2MAP4K4
Hydrochloric Acid SCHEMBL4872464 0.84 GSK3B (0.50) GSK3BPIK3R1PIK3CAROCK2MAP4K4
SCHEMBL1842262 0.82 GSK3B (0.39) GSK3BHTTPKMTSHRLMNA
SCHEMBL4870920 0.81 GSK3B (0.37) GSK3BPKMPIK3R1PIK3CATSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592580-B2 Substituted triazinone derivatives SANOFI (FR) 2013-11-26 US claimed
EP-2321295-B1 4-(PYRIDIN-4-YL)-1H-[1,3,5]TRIAZIN-2-ONE DERIVATIVES AS GSK3-BETA INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES MITSUBISHI TANABE PHARMA CORP (JP) 2011-12-21 EP claimed
US-20110144114-A1 SUBSTITUTED TRIAZINONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US claimed
EP-2138488-A1 4-(pyridin-4-yl)-1H-[1,3,5]triazin-2-one derivatives as GSK3-beta inhibitors for the treatment of neurodegenerative diseases sanofi-aventis (FR) 2009-12-30 EP claimed
US-8592580-B2 Substituted triazinone derivatives SANOFI (FR) 2013-11-26 US disclosed
EP-2321295-B1 4-(PYRIDIN-4-YL)-1H-[1,3,5]TRIAZIN-2-ONE DERIVATIVES AS GSK3-BETA INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES MITSUBISHI TANABE PHARMA CORP (JP) 2011-12-21 EP disclosed
US-20110144114-A1 SUBSTITUTED TRIAZINONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2138488-A1 4-(pyridin-4-yl)-1H-[1,3,5]triazin-2-one derivatives as GSK3-beta inhibitors for the treatment of neurodegenerative diseases sanofi-aventis (FR) 2009-12-30 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-20110144114-A1 SUBSTITUTED TRIAZINONE DERIVATIVES TBXA2R, ARG2, GLS GSK3B 1923/4885S1PR1 556/4885HTT 3768/4885

“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.