SCHEMBL4060407

SCHEMBL4060407

Nc1c(C(=O)O)c(-c2cccs2)n[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 4/20 0.44
ERCC1 P07992 3/20 0.43
FEN1 P39748 3/20 0.43
ERCC4 Q92889 3/20 0.43
CCNE2 O96020 2/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
HSD17B10 Q99714 4/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CDK8 P49336 1/20 0.41
CDK5 Q00535 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL3036034 0.87 MAPT (0.44) MEN1KMT2AALDH1A1ERCC1FEN1
SCHEMBL4059335 0.77 CDK8 (0.60) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL4057666 0.74 CDK4 (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL4060155 0.72 DHODH (0.47) ALDH1A1MAPTMAPK1CDK8CDK5
SCHEMBL13721415 0.71 ATM (0.59) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL6322278 0.71 MEN1 (0.46) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL4055217 0.71 CDK8 (0.49) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL3849962 0.70 ERCC1 (0.41) MEN1KMT2AALDH1A1ERCC1FEN1
SCHEMBL4051653 0.69 MAP2K4 (0.48) MAPK1CDK8CDK5CLK4ADORA2A
SCHEMBL4051353 0.69 CDK8 (0.48) MAPTMAPK1CDK8CDK5CLK4

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 3 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 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 MEN1 4851/4885KMT2A 1725/4885ALDH1A1 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.