SCHEMBL4049348

SCHEMBL4049348

CCn1nc(-c2cccs2)c(C(=O)OCCOC(C)=O)c(Nc2cnccc2C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 5/20 0.38
HPGD P15428 5/20 0.38
HIF1A Q16665 1/20 0.38
TP53 P04637 3/20 0.35
POLB P06746 3/20 0.35
PDE4B Q07343 1/20 0.35
KDM4E B2RXH2 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAF1 P04049 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL4054505 0.94 ADORA1 (0.40) ADORA1ALDH1A1NPSR1HPGDHIF1A
SCHEMBL4053216 0.93 NPSR1 (0.44) ADORA1ALDH1A1NPSR1HPGDHIF1A
SCHEMBL4053868 0.89 ALDH1A1 (0.40) ADORA1ALDH1A1NPSR1HPGDHIF1A
SCHEMBL4051583 0.88 ADORA1 (0.39) ADORA1ALDH1A1NPSR1HPGDHIF1A
SCHEMBL4051245 0.88 NPSR1 (0.37) ADORA1ALDH1A1NPSR1HPGDHIF1A
SCHEMBL4058812 0.88 NPSR1 (0.37) ADORA1ALDH1A1NPSR1HPGDHIF1A
SCHEMBL4051754 0.87 ELANE (0.36) ADORA1ALDH1A1NPSR1HPGDHIF1A
SCHEMBL4049875 0.87 ADORA1 (0.41) ADORA1ALDH1A1NPSR1HPGDHIF1A
SCHEMBL4055052 0.86 ADORA1 (0.44) ADORA1ALDH1A1NPSR1HPGDHIF1A
SCHEMBL4051471 0.86 ADORA1 (0.37) ADORA1ALDH1A1NPSR1HPGDHIF1A

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 ADORA1 311/4885ALDH1A1 324/4885NPSR1 3572/4885

“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.