SCHEMBL4055304

SCHEMBL4055304

CCn1nc(-c2ccccc2)c(C(=O)OCc2ccc(C(=O)OC)cc2)c(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
PDE4B Q07343 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DNMT1 P26358 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
KAT2B Q92831 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
P2RX7 Q99572 1/20 0.36
RECQL P46063 1/20 0.36
MAPK10 P53779 1/20 0.36
HDAC3 O15379 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
SCHEMBL4048502 0.94 PDE4B (0.45) PDE4BSMN1; SMN2HTTDNMT1DNMT3A
SCHEMBL4049469 0.90 PDE4B (0.48) PDE4BSMN1; SMN2HTTMAPTHPGD
SCHEMBL4051437 0.89 PDE4B (0.42) PDE4BSMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL4056462 0.87 PDE4B (0.41) PDE4BSMN1; SMN2HTTMAPTKDM4E
SCHEMBL4053623 0.85 PDE4B (0.45) PDE4BSMN1; SMN2HTTMEN1KMT2A
SCHEMBL4055308 0.85 PDE4B (0.47) PDE4BSMN1; SMN2HTTMEN1KMT2A
SCHEMBL4050022 0.84 GAA (0.44) PDE4BALDH1A1HTTMAPTHPGD
SCHEMBL4055629 0.84 PDE4B (0.44) PDE4BALDH1A1HTTMAPTMEN1
SCHEMBL4052589 0.84 PDE4B (0.43) PDE4BSMN1; SMN2HTTMAPTMEN1
SCHEMBL4049916 0.84 PDE4B (0.43) PDE4BSMN1; SMN2HTTGAATP53

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 PKM 1971/4885PDE4B 3/4885SMN1; 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.