SCHEMBL4054444

SCHEMBL4054444

CCn1nc(-c2ccccc2)c(C(=O)O)c(Nc2cnccc2C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.56
TBXAS1 P24557 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
DHODH Q02127 1/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL1652356 0.93 PDE4B (0.63) PDE4BTBXAS1SMN1; SMN2TP53PDE4A
SCHEMBL4056263 0.93 PDE4B (0.48) PDE4BTBXAS1SMN1; SMN2TP53DHODH
SCHEMBL4054079 0.90 PDE4B (0.50) PDE4BTBXAS1SMN1; SMN2TP53PDE4A
SCHEMBL4050538 0.88 PDE4B (0.48) PDE4BTBXAS1SMN1; SMN2TP53PDE4A
SCHEMBL4050885 0.88 PDE4B (0.43) PDE4BTBXAS1SMN1; SMN2TP53PDE4A
SCHEMBL4061334 0.87 PDE4B (0.47) PDE4BTBXAS1SMN1; SMN2TP53PDE4A
SCHEMBL4056545 0.87 PDE4B (0.49) PDE4BTBXAS1SMN1; SMN2TP53PDE4A
SCHEMBL3036647 0.87 PDE4B (0.54) PDE4BTBXAS1SMN1; SMN2TP53PDE4A
SCHEMBL3032862 0.86 PDE4B (0.65) PDE4BTBXAS1SMN1; SMN2TP53PDE4A
SCHEMBL1653491 0.86 PDE4B (0.54) PDE4BTBXAS1SMN1; SMN2TP53LMNA

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 1019/4885SMN1; SMN2 4776/4885

“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.