SCHEMBL4059882

SCHEMBL4059882

CCn1nc(-c2cccc(C)c2)c(C(=O)O)c(Nc2cccnc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.52
TBXAS1 P24557 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
NAMPT P43490 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL3029540 0.93 PDE4B (0.57) PDE4BTBXAS1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4050108 0.90 PDE4B (0.63) PDE4BTBXAS1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4050541 0.90 PDE4B (0.46) PDE4BTBXAS1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4052442 0.90 PDE4B (0.52) PDE4BTBXAS1ALDH1A1LMNAL3MBTL1
SCHEMBL4060223 0.89 PDE4B (0.55) PDE4BTBXAS1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4368123 0.89 PDE4B (0.43) PDE4BTBXAS1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3033339 0.85 PDE4B (0.66) PDE4BTBXAS1ALDH1A1HTTL3MBTL1
SCHEMBL4052632 0.85 PDE4B (0.42) PDE4BTBXAS1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4054689 0.85 TBXAS1 (0.45) PDE4BTBXAS1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4052389 0.85 PDE4B (0.54) PDE4BTBXAS1ALDH1A1SMN1; SMN2LMNA

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 3/4885TBXAS1 1019/4885ALDH1A1 324/4885

“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.