SCHEMBL5227468

SCHEMBL5227468

COc1ccc(CNC(=O)c2cc(-c3ccncc3)n[nH]c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
GSK3B P49841 3/20 0.59
TP53 P04637 1/20 0.56
GSK3A P49840 1/20 0.55
DYRK1A Q13627 1/20 0.55
ROCK2 O75116 3/20 0.52
PRKCA P17252 1/20 0.52
GRK2 P25098 1/20 0.52
ROCK1 Q13464 2/20 0.51
HDAC1 Q13547 2/20 0.50
RAB9A P51151 1/20 0.50
KDM1A O60341 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL5656445 0.93 GSK3B (0.55) MAPTGSK3BTP53GSK3ADYRK1A
SCHEMBL13986962 0.90 CYP1A2 (0.55) MAPTGSK3BTP53GSK3ADYRK1A
SCHEMBL4856282 0.89 GSK3B (0.69) GSK3BGSK3ADYRK1AROCK2PRKCA
SCHEMBL4851380 0.88 GSK3B (0.58) MAPTGSK3BGSK3AROCK2PRKCA
SCHEMBL4849100 0.88 MAPT (0.77) MAPTGSK3BTP53HDAC1KDM1A
SCHEMBL4848500 0.88 GSK3B (0.62) MAPTGSK3BTP53ROCK2PRKCA
SCHEMBL4848308 0.88 LMNA (0.57) MAPTGSK3BROCK2ROCK1LMNA
SCHEMBL4856466 0.87 GSK3B (0.64) MAPTGSK3BROCK2PRKCAGRK2
SCHEMBL4853063 0.87 GSK3B (0.59) MAPTGSK3BROCK2PRKCAGRK2
SCHEMBL4856280 0.86 GSK3B (0.75) MAPTGSK3BTP53ROCK2PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 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-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A MAPT 2858/4885GSK3B 3708/4885TP53 3932/4885

“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.