SCHEMBL4049916

SCHEMBL4049916

CCn1nc(-c2ccccc2)c(C(=O)OCCN(C)C)c(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.43
TACR3 P29371 3/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
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
GAA P10253 1/20 0.36
TBXAS1 P24557 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
SCHEMBL4053623 0.90 PDE4B (0.45) PDE4BTACR3LMNAHTTSMN1; SMN2
SCHEMBL4055308 0.90 PDE4B (0.47) PDE4BLMNAHTTSMN1; SMN2TP53
SCHEMBL4059635 0.89 PDE4B (0.43) PDE4BTACR3LMNAHTTSMN1; SMN2
SCHEMBL4052589 0.89 PDE4B (0.43) PDE4BLMNAHTTSMN1; SMN2TP53
SCHEMBL4049469 0.88 PDE4B (0.48) PDE4BLMNAHTTSMN1; SMN2TP53
SCHEMBL4048502 0.88 PDE4B (0.45) PDE4BLMNAHTTSMN1; SMN2TP53
SCHEMBL4050022 0.86 GAA (0.44) PDE4BTACR3LMNAHTTTP53
SCHEMBL4054923 0.86 PDE4B (0.43) PDE4BLMNAHTTSMN1; SMN2TP53
SCHEMBL4054580 0.86 PDE4B (0.53) PDE4BLMNAHTTSMN1; SMN2TP53
SCHEMBL4050523 0.86 PDE4B (0.41) PDE4BLMNAHTTTP53PDE4A

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 3/4885TACR3 4071/4885KCNH2 2407/4885

“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.