SCHEMBL4052633

SCHEMBL4052633

CCCC(=O)OCOC(=O)c1c(-c2ccc(F)cc2)nn(CC)c(=O)c1Nc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.43
ALDH1A1 P00352 5/20 0.40
TBXAS1 P24557 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
NOTUM Q6P988 1/20 0.35
KLKB1 P03952 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL5265113 0.93 PDE4B (0.40) PDE4BALDH1A1TBXAS1L3MBTL1MAPK1
SCHEMBL4052248 0.92 PDE4B (0.52) PDE4BALDH1A1TBXAS1L3MBTL1MAPK1
SCHEMBL4056170 0.91 PDE4B (0.42) PDE4BALDH1A1TBXAS1L3MBTL1MAPK1
SCHEMBL4054775 0.91 PDE4B (0.46) PDE4BALDH1A1TBXAS1MAPK1LMNA
SCHEMBL4051493 0.87 PDE4B (0.50) PDE4BALDH1A1TBXAS1L3MBTL1MAPK1
SCHEMBL4049457 0.87 PDE4B (0.41) PDE4BALDH1A1TBXAS1L3MBTL1MAPK1
SCHEMBL5262513 0.87 PDE4B (0.39) PDE4BALDH1A1TBXAS1L3MBTL1MAPK1
SCHEMBL4053504 0.85 PDE4B (0.53) PDE4BALDH1A1TBXAS1L3MBTL1MAPK1
SCHEMBL4051404 0.85 PDE4B (0.40) PDE4BALDH1A1TBXAS1L3MBTL1MAPK1
SCHEMBL4052389 0.85 PDE4B (0.54) PDE4BALDH1A1TBXAS1L3MBTL1MAPK1

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 4 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
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 324/4885TBXAS1 1019/4885

“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.