SCHEMBL4051352

SCHEMBL4051352

CCOC(=O)COC(=O)c1c(-c2cccs2)nn(CC)c(=O)c1Nc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 8/20 0.39
HPGD P15428 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TP53 P04637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HIF1A Q16665 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 3/20 0.37
PKM P14618 1/20 0.37
PDE4B Q07343 2/20 0.37
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL4056733 0.94 ALDH1A1 (0.43) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL5264015 0.94 MEN1 (0.40) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4055585 0.91 KMT2A (0.41) ADORA1ALDH1A1MEN1KMT2ATP53
SCHEMBL4054073 0.89 TBXAS1 (0.38) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4053568 0.89 TBXAS1 (0.38) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4059284 0.88 ADORA1 (0.41) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4053868 0.88 ALDH1A1 (0.40) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4049875 0.88 ADORA1 (0.41) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL5336492 0.87 TP53 (0.36) ADORA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4049128 0.87 KMT2A (0.42) ADORA1ALDH1A1MEN1KMT2ATP53

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 ADORA1 311/4885ALDH1A1 324/4885HPGD 316/4885

“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.