SCHEMBL4057150

SCHEMBL4057150

CCn1nc(-c2ccccc2)c(C(=O)OC(C)OC(=O)OC2CCCCC2)c(Nc2cnccc2C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.40
PDE4D Q08499 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE3A Q14432 2/20 0.33
PDE3B Q13370 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TBXAS1 P24557 1/20 0.33
CHRM2 P08172 3/20 0.32
CHRM3 P20309 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
USP2 O75604 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL4049479 0.89 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL4051150 0.88 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL4050667 0.88 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL4055267 0.88 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL4058107 0.88 PDE4B (0.39) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL4056761 0.87 PDE4B (0.38) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL4057669 0.87 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL4049743 0.81 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL4054079 0.80 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL4049167 0.79 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CPDE3A

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 6 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
EP-1781621-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-05-09 EP claimed
WO-2005123693-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO 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 3/4885PDE4D 4/4885PDE4A 2/4885

“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.