SCHEMBL4053210

SCHEMBL4053210

CCC(CC)OC(=O)OC(C)OC(=O)c1c(-c2ccccc2)nn(CC)c(=O)c1Nc1cncc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.42
TBXAS1 P24557 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 2/20 0.34
TSHR P16473 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 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
SCHEMBL4054447 0.94 PDE4B (0.45) PDE4BTBXAS1SMN1; SMN2TP53TSHR
SCHEMBL4050410 0.91 PDE4B (0.47) PDE4BTBXAS1SMN1; SMN2TP53TSHR
SCHEMBL4054770 0.90 PDE4B (0.43) PDE4BTBXAS1SMN1; SMN2TP53TSHR
SCHEMBL4058107 0.87 PDE4B (0.39) PDE4BTBXAS1SMN1; SMN2TP53TSHR
SCHEMBL4057669 0.87 PDE4B (0.43) PDE4BTBXAS1SMN1; SMN2TP53PDE4A
SCHEMBL5264222 0.84 PDE4B (0.41) PDE4BTBXAS1SMN1; SMN2TP53PDE4A
SCHEMBL4052008 0.84 PDE4B (0.45) PDE4BTBXAS1SMN1; SMN2TP53TSHR
SCHEMBL4048555 0.84 PDE4B (0.48) PDE4BTBXAS1SMN1; SMN2TSHRPDE4A
SCHEMBL4050852 0.83 PDE4B (0.48) PDE4BTBXAS1SMN1; SMN2TP53PDE4A
SCHEMBL4053643 0.83 PDE4B (0.45) PDE4BTBXAS1SMN1; SMN2TP53TSHR

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 3/4885TBXAS1 1019/4885SMN1; SMN2 4776/4885

“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.