SCHEMBL4852806

SCHEMBL4852806

Cc1cnccc1-c1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.57
▸ WDR5 P61964 2/20 0.46
▸ HPGD P15428 4/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ROCK2 O75116 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GRK2 P25098 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP1A1 P04798 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42

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 SCHEMBL5658055 0.94 GSK3B (0.54) GSK3BWDR5HPGDTSHRSMN1; SMN2
SCHEMBL14374765 0.90 GSK3B (0.46) GSK3BWDR5HPGDSMN1; SMN2NPSR1
SCHEMBL4855778 0.90 GSK3B (0.62) GSK3BHPGDTSHRSMN1; SMN2CYP1A2
SCHEMBL4848821 0.88 GSK3B (0.65) GSK3BWDR5HPGDTSHRCYP1A2
SCHEMBL4856682 0.83 GSK3B (0.69) GSK3BHPGDTSHRCYP1A2CYP2C9
SCHEMBL5227662 0.81 GSK3B (0.68) GSK3BHPGDNPSR1MAPK1MAPT
SCHEMBL4848658 0.80 GSK3B (0.68) GSK3BHPGDTSHRCYP1A2CYP2C9
SCHEMBL4854304 0.79 GSK3B (0.58) GSK3BHPGDTSHRSMN1; SMN2CYP1A2
SCHEMBL4849676 0.79 GSK3B (0.78) GSK3BHPGDMAPTMEN1KMT2A
SCHEMBL4848965 0.79 GSK3B (0.66) GSK3BWDR5HPGDCYP1A2CYP2C9

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-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
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 3708/4885WDR5 2743/4885HPGD 1951/4885

“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.

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