SCHEMBL4049563

SCHEMBL4049563

CCn1nc(-c2ccsc2)c(C(=O)OCc2ccc(C(=O)OC)cc2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL4050813 0.93 PDE4B (0.39) PDE4BALDH1A1SMN1; SMN2PDE4APDE4C
SCHEMBL4053784 0.92 KMT2A (0.36) PDE4BALDH1A1SMN1; SMN2KMT2APDE4A
SCHEMBL4053853 0.89 PDE4B (0.41) PDE4BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4050395 0.89 HTT (0.37) PDE4BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4049579 0.88 ADORA1 (0.38) PDE4BPKMALDH1A1SMN1; SMN2PDE4A
SCHEMBL4053577 0.86 PKM (0.37) PDE4BPKMALDH1A1SMN1; SMN2HPGD
SCHEMBL4054524 0.86 PDE4B (0.39) PDE4BALDH1A1SMN1; SMN2PDE4APDE4C
SCHEMBL4053830 0.85 RECQL (0.37) PDE4BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4053624 0.85 PDE4B (0.36) PDE4BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4053711 0.84 PDE4B (0.45) PDE4BSMN1; SMN2PDE4APDE4CPDE4D

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 3/4885PKM 1971/4885ALDH1A1 324/4885

“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.