SCHEMBL4048827

SCHEMBL4048827

CCC(CC)OC(=O)OCOC(=O)c1c(-c2ccccc2)nn(CC)c(=O)c1Nc1cnccc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.43
PDE4A P27815 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TBXAS1 P24557 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4049743 0.93 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4057669 0.90 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4049167 0.89 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4061334 0.88 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4056545 0.88 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4054079 0.88 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4060005 0.87 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4052751 0.87 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4054770 0.87 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4050667 0.86 PDE4B (0.44) 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 2 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

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.