SCHEMBL4856282

SCHEMBL4856282

O=C(NCc1ccncc1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.69
CASP1 P29466 1/20 0.54
ROCK2 O75116 2/20 0.51
PRKCA P17252 1/20 0.51
GRK2 P25098 1/20 0.51
MAP4K4 O95819 2/20 0.49
PRKACA P17612 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
CDC7 O00311 1/20 0.49
PIM1 P11309 1/20 0.49
CDK2 P24941 1/20 0.49
HIPK2 Q9H2X6 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 4/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.47
MAPK3 P27361 1/20 0.46
HDAC3 O15379 1/20 0.46

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
SCHEMBL4853003 0.94 GSK3B (0.65) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4856466 0.93 GSK3B (0.64) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4848500 0.92 GSK3B (0.62) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4848952 0.92 GSK3B (0.62) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4856682 0.92 GSK3B (0.69) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4856280 0.92 GSK3B (0.75) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4848978 0.91 GSK3B (0.61) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4854602 0.90 GSK3B (0.63) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL5226580 0.89 GSK3B (0.72) GSK3BCASP1ROCK2PRKCAGRK2
SCHEMBL4847289 0.89 GSK3B (0.62) GSK3BCASP1ROCK2PRKCAGRK2

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 15 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-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
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
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
EP-1611121-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS Aventis Pharma S.A. (FR) 2006-01-04 EP disclosed
EP-1581505-A1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2005-10-05 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
US-20040176377-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-09-09 US disclosed
WO-2004046117-A1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-03 WO disclosed
WO-2004046130-A1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-06-03 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 (2 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-20040176377-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them ADRA2C, ADRA1A, ADRA1B GSK3B 3654/4885CASP1 2557/4885ROCK2 4094/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A GSK3B 3708/4885CASP1 3371/4885ROCK2 4122/4885

“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.