SCHEMBL4055585

SCHEMBL4055585

CCn1nc(-c2cccs2)c(C(=O)OCC(=O)OCc2ccccc2)c(Nc2cccnc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
PDE4B Q07343 1/20 0.38
ADORA1 P30542 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NAMPT P43490 1/20 0.35
CHRNA7 P36544 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL5264015 0.98 MEN1 (0.40) KMT2AMEN1MAPTUSP2TP53
SCHEMBL4049128 0.95 KMT2A (0.42) KMT2AMEN1MAPTUSP2TP53
SCHEMBL5336492 0.92 TP53 (0.36) KMT2AMEN1MAPTUSP2TP53
SCHEMBL4051352 0.91 ADORA1 (0.40) KMT2AMEN1MAPTUSP2TP53
SCHEMBL4049156 0.89 PDE4B (0.49) KMT2ATP53MAPK1ALDH1A1PDE4B
SCHEMBL4051768 0.88 ADORA1 (0.36) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL4058345 0.88 ADORA1 (0.38) KMT2AMEN1MAPTUSP2TP53
SCHEMBL4054452 0.87 PDE4B (0.41) KMT2AMEN1MAPK1ALDH1A1PDE4B
SCHEMBL4056733 0.87 ALDH1A1 (0.43) KMT2AMEN1MAPTUSP2TP53
SCHEMBL4051281 0.87 MAPT (0.40) KMT2AMEN1MAPTUSP2TP53

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 KMT2A 1725/4885MEN1 4851/4885MAPT 2914/4885

“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.