SCHEMBL4057141

SCHEMBL4057141

CCn1nc(-c2ccccc2)c(C(=O)OCOC(=O)OC2CCCCC2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.41
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GAA P10253 2/20 0.34
CASP3 P42574 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TBXAS1 P24557 1/20 0.33
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL4049939 0.89 ADORA1 (0.36) PDE4BALDH1A1MAPTHTTLMNA
SCHEMBL4058107 0.89 PDE4B (0.39) PDE4BALDH1A1MAPTHTTPDE4A
SCHEMBL5336868 0.88 MAPK1 (0.34) PDE4BALDH1A1MAPTHTTLMNA
SCHEMBL4049479 0.87 PDE4B (0.41) PDE4BALDH1A1HTTPDE4APDE4C
SCHEMBL4055082 0.86 PDE4B (0.47) PDE4BALDH1A1HTTPDE4APDE4C
SCHEMBL4057192 0.86 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4052008 0.86 PDE4B (0.45) PDE4BMAPTPDE4APDE4CPDE4D
SCHEMBL4052285 0.85 PDE4B (0.46) PDE4BALDH1A1MAPTPDE4APDE4C
SCHEMBL4048555 0.85 PDE4B (0.48) PDE4BMAPTPDE4APDE4CPDE4D
SCHEMBL4054770 0.85 PDE4B (0.43) PDE4BMAPTPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029996-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-29 US claimed
EP-1781621-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-05-09 EP claimed
WO-2005123693-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO claimed
US-20090029996-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-29 US disclosed
EP-1781621-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-05-09 EP disclosed
WO-2005123693-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 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 (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-20090029996-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease PDE12, PDE4A, PDE4B PDE4B 3/4885ALDH1A1 324/4885MAPT 2914/4885

“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.