SCHEMBL4055277

SCHEMBL4055277

CCOC(=O)COC(=O)c1c(-c2ccsc2)nn(CC)c(=O)c1Nc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.40
PDE4A P27815 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TBXAS1 P24557 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
BRD4 O60885 1/20 0.33
GSK3B P49841 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4049888 0.94 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4054452 0.92 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4051188 0.89 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4050947 0.89 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4053574 0.88 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4050104 0.87 PDE4B (0.35) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4048561 0.87 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4051352 0.86 ADORA1 (0.40) PDE4BALDH1A1MEN1KMT2AUSP2
SCHEMBL4054578 0.85 PDE4B (0.50) PDE4BALDH1A1TBXAS1MEN1KMT2A
SCHEMBL1654150 0.85 PDE4B (0.55) PDE4BALDH1A1TBXAS1MAPTMAPK1

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 3/4885PDE4A 2/4885PDE4C 6/4885

“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.