SCHEMBL5233303

SCHEMBL5233303

CCCCNC(=O)c1cc(-c2ccnc(NC(C)c3ccccc3)n2)n[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.62
MAPK14 Q16539 13/20 0.42
CAMK2D Q13557 3/20 0.39
IDH1 O75874 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL4855915 1.00 GSK3B (0.62) GSK3BMAPK14CAMK2DIDH1MCL1
SCHEMBL5658190 0.91 GSK3B (0.62) GSK3BMAPK14CAMK2DMCL1
SCHEMBL5658993 0.87 GSK3B (0.73) GSK3BMAPK14CAMK2DIDH1MCL1
SCHEMBL4848243 0.85 CAMK2D (0.47) MAPK14CAMK2DIDH1
SCHEMBL4848233 0.85 CAMK2D (0.47) MAPK14CAMK2DIDH1
SCHEMBL4847382 0.84 GSK3B (0.49) GSK3BMAPK14CAMK2DIDH1
SCHEMBL4847379 0.84 GSK3B (0.49) GSK3BMAPK14CAMK2DIDH1
SCHEMBL13987027 0.76 GSK3B (1.00) GSK3B
SCHEMBL4857179 0.76 GSK3B (0.65) GSK3B
SCHEMBL5656460 0.74 GSK3B (0.85) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3708/4885MAPK14 3554/4885CAMK2D 3282/4885

“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.