SCHEMBL4056733

SCHEMBL4056733

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
HPGD P15428 6/20 0.43
NPSR1 Q6W5P4 6/20 0.43
ADORA1 P30542 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.41
PDE4B Q07343 3/20 0.40
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4051352 0.94 ADORA1 (0.40) ALDH1A1HPGDNPSR1ADORA1HIF1A
SCHEMBL4059284 0.92 ADORA1 (0.41) ALDH1A1HPGDNPSR1ADORA1HIF1A
SCHEMBL4049875 0.91 ADORA1 (0.41) ALDH1A1HPGDNPSR1ADORA1HIF1A
SCHEMBL4049128 0.91 KMT2A (0.42) ALDH1A1ADORA1HIF1AMEN1KMT2A
SCHEMBL4053568 0.90 TBXAS1 (0.38) ALDH1A1HPGDNPSR1ADORA1HIF1A
SCHEMBL4054073 0.90 TBXAS1 (0.38) ALDH1A1HPGDNPSR1ADORA1HIF1A
SCHEMBL3036724 0.89 PDE4B (0.51) ALDH1A1HPGDADORA1MEN1KMT2A
SCHEMBL4053240 0.89 PDE4B (0.46) ALDH1A1HPGDADORA1MEN1KMT2A
SCHEMBL4058345 0.89 ADORA1 (0.38) ALDH1A1ADORA1HIF1AMEN1KMT2A
SCHEMBL4051784 0.89 MEN1 (0.39) ALDH1A1HPGDNPSR1ADORA1HIF1A

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 ALDH1A1 324/4885HPGD 316/4885NPSR1 3572/4885

“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.