Sugi Predict

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SCHEMBL4052008

SCHEMBL4052008

CCn1nc(-c2ccccc2)c(C(=O)OCOC(=O)OC(C)C)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.45
▸ PDE4A P27815 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL4054770 0.93 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4053643 0.91 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4054447 0.91 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4055082 0.89 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4057192 0.89 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4050545 0.89 ADORA1 (0.38) PDE4BSMN1; SMN2TP53GAAMAPT
SCHEMBL4052285 0.89 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4048555 0.88 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4370564 0.88 ADORA1 (0.36) PDE4BSMN1; SMN2TP53GAAMAPT
SCHEMBL4056954 0.87 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DPDE3B

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
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

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.