SCHEMBL4854591

SCHEMBL4854591

O=C(NCc1cccnc1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.61
HTT P42858 3/20 0.55
KMT2A Q03164 1/20 0.55
USP2 O75604 1/20 0.52
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
CASP1 P29466 1/20 0.51
RECQL P46063 1/20 0.50
ROCK2 O75116 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ROCK1 Q13464 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MMP13 P45452 1/20 0.49
PARP1 P09874 1/20 0.48
PRKCA P17252 1/20 0.48
GRK2 P25098 1/20 0.48
LMNA P02545 1/20 0.48
NAMPT P43490 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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 0.90 GSK3B (0.65) GSK3BHPGDTSHRCASP1ROCK2
SCHEMBL13986947 0.89 GSK3B (0.56) GSK3BKMT2APARP1NAMPT
SCHEMBL4856282 0.88 GSK3B (0.69) GSK3BHPGDTSHRCASP1ROCK2
SCHEMBL4856810 0.85 GSK3B (0.71) GSK3BCASP1ROCK2ROCK1PRKCA
SCHEMBL4856466 0.84 GSK3B (0.64) GSK3BHPGDTSHRCASP1ROCK2
SCHEMBL4848500 0.83 GSK3B (0.62) GSK3BHPGDTSHRCASP1ROCK2
SCHEMBL5226580 0.83 GSK3B (0.72) GSK3BCASP1ROCK2ROCK1PRKCA
SCHEMBL4856280 0.83 GSK3B (0.75) GSK3BKMT2ACASP1ROCK2ROCK1
SCHEMBL4847289 0.83 GSK3B (0.62) GSK3BHTTCASP1ROCK2ROCK1
SCHEMBL4848952 0.83 GSK3B (0.62) GSK3BKMT2AHPGDTSHRCASP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US claimed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP claimed
EP-1581505-A1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2005-10-05 EP claimed
US-20040176377-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-09-09 US claimed
WO-2004046117-A1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-03 WO claimed
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 3654/4885HTT 2580/4885KMT2A 3158/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A GSK3B 3708/4885HTT 1659/4885KMT2A 3061/4885

“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.