SCHEMBL4052341

SCHEMBL4052341

CCn1nc(-c2ccc(C)cc2)c(C(=O)OCOC(=O)C(C)(C)C)c(Nc2cnccc2C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GAA P10253 1/20 0.33
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.32
TBXAS1 P24557 1/20 0.32
TP53 P04637 2/20 0.31
LATS1 O95835 1/20 0.31

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
SCHEMBL4056467 0.93 PDE4B (0.45) PDE4BALDH1A1PDE4APDE4CPDE4D
SCHEMBL4052791 0.90 PDE4B (0.41) PDE4BALDH1A1MAPTKDM4CPDE4A
SCHEMBL4050536 0.87 ALDH1A1 (0.45) PDE4BALDH1A1MAPTPDE4APDE4C
SCHEMBL4053849 0.85 PDE4B (0.39) PDE4BALDH1A1MAPTPDE4APDE4C
SCHEMBL3022923 0.84 PDE4B (0.52) PDE4BALDH1A1MAPTKDM4CMEN1
SCHEMBL4056263 0.84 PDE4B (0.48) PDE4BALDH1A1KDM4CMEN1KMT2A
SCHEMBL4061334 0.84 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL4056545 0.84 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL4054079 0.83 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL4049167 0.82 PDE4B (0.46) 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 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 324/4885MAPT 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.