SCHEMBL5229067

SCHEMBL5229067

O=C(NCc1ccc(F)cc1F)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 1.00
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.45
CASP1 P29466 1/20 0.44
P2RX7 Q99572 1/20 0.43
MAOB P27338 1/20 0.43
MET P08581 1/20 0.43
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41

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 SCHEMBL5659784 0.94 GSK3B (0.89) GSK3BPOLBKMT2AMAPK13MAPK12
SCHEMBL5231880 0.90 GSK3B (0.81) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL4847269 0.90 GSK3B (0.81) GSK3BPOLBKMT2AMAPK13MAPK12
SCHEMBL4856280 0.86 GSK3B (0.75) GSK3BKMT2AMAPK13MAPK12MAPK11
Trifluoroacetic Acid SCHEMBL5656666 0.85 GSK3B (0.73) GSK3BMAPK13MAPK12MAPK11MAPK14
Trifluoroacetic Acid SCHEMBL5660695 0.85 GSK3B (0.73) GSK3BPOLBKMT2AMAPK13MAPK12
SCHEMBL5226580 0.84 GSK3B (0.72) GSK3BMAPK13MAPK12MAPK11MAPK14
SCHEMBL4856810 0.83 GSK3B (0.71) GSK3BROCK1ROCK2CASP1MAPK1
SCHEMBL4856282 0.82 GSK3B (0.69) GSK3BPOLBROCK1ROCK2CASP1
SCHEMBL5229735 0.82 GSK3B (0.69) GSK3BROCK1ROCK2CASP1MAOB

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 GSK3B 3708/4885POLB 3316/4885KMT2A 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.