SCHEMBL4854577

SCHEMBL4854577

O=C(NC1Cc2ccccc2C1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.49
ROCK1 Q13464 1/20 0.48
MAPK8 P45983 1/20 0.47
DYRK1A Q13627 5/20 0.45
WNT1 P04628 4/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM4 P08173 1/20 0.44
ROCK2 O75116 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL5232508 0.87 MAPK8 (0.55) GSK3BMAPK8DYRK1AWNT1ROCK2
SCHEMBL5236116 0.85 GSK3B (0.52) GSK3BROCK1MAPK8DYRK1ALMNA
SCHEMBL5233639 0.85 GSK3B (0.52) GSK3BROCK1MAPK8DYRK1AWNT1
SCHEMBL4848283 0.84 GSK3B (0.51) GSK3BROCK1MAPK8DYRK1AWNT1
SCHEMBL13986936 0.83 MAPK8 (0.51) GSK3BMAPK8DYRK1AROCK2HDAC3
SCHEMBL13986942 0.82 GSK3B (0.48) GSK3BMAPK8DYRK1AWNT1ROCK2
SCHEMBL4854586 0.82 ROCK2 (0.52) GSK3BROCK1NPC1RAB9AROCK2
SCHEMBL13986968 0.82 MAPK8 (0.50) GSK3BMAPK8DYRK1ANPC1LMNA
SCHEMBL4856142 0.80 NPC1 (0.46) GSK3BMAPK8DYRK1AWNT1NPC1
SCHEMBL14348307 0.79 DYRK1A (0.48) GSK3BROCK1MAPK8DYRK1AWNT1

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-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
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 GSK3B 3708/4885ROCK1 4428/4885MAPK8 3415/4885

“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.