Sugi Predict

Sugi Predict / Compounds / SCHEMBL4052389

SCHEMBL4052389

SCHEMBL4052389

CCn1nc(-c2ccc(F)cc2)c(C(=O)O)c(Nc2cccnc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.43
▸ TBXAS1 P24557 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL1651191 0.92 PDE4B (0.59) PDE4BALDH1A1TBXAS1L3MBTL1MAPT
SCHEMBL4050108 0.92 PDE4B (0.63) PDE4BALDH1A1TBXAS1L3MBTL1MAPT
SCHEMBL4060223 0.91 PDE4B (0.55) PDE4BALDH1A1TBXAS1L3MBTL1MAPT
SCHEMBL4052442 0.90 PDE4B (0.52) PDE4BALDH1A1TBXAS1L3MBTL1JAK1
SCHEMBL4054775 0.89 PDE4B (0.46) PDE4BALDH1A1TBXAS1MAPTKDM4E
SCHEMBL3028376 0.85 PDE4B (0.75) PDE4BALDH1A1TBXAS1L3MBTL1MAPT
SCHEMBL4052633 0.85 PDE4B (0.43) PDE4BALDH1A1TBXAS1L3MBTL1MAPT
SCHEMBL3036709 0.85 PDE4B (0.71) PDE4BALDH1A1TBXAS1L3MBTL1MAPT
SCHEMBL4059882 0.85 PDE4B (0.52) PDE4BALDH1A1TBXAS1L3MBTL1MAPT
SCHEMBL4054578 0.85 PDE4B (0.50) PDE4BALDH1A1TBXAS1L3MBTL1MAPT

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 3 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 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 324/4885TBXAS1 1019/4885

“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.