SCHEMBL4057666

SCHEMBL4057666

Nc1c(C(=O)O)c(-c2ccsc2)n[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 2/20 0.41
CDK8 P49336 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GSR P00390 2/20 0.40
ADORA2A P29274 2/20 0.39
CHEK2 O96017 1/20 0.38
KIT P10721 3/20 0.37
FLT1 P17948 3/20 0.37
KDR P35968 3/20 0.37
ACMSD Q8TDX5 1/20 0.36
IKBKB O14920 1/20 0.36
CHEK1 O14757 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
ADORA1 P30542 1/20 0.35
CDK5R1 Q15078 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
SCHEMBL4059335 0.80 CDK8 (0.60) CDK5CDK8CLK4GSRFLT1
SCHEMBL4060155 0.78 DHODH (0.47) CDK5CDK8CLK4GSR
SCHEMBL4055217 0.77 CDK8 (0.49) CDK5CDK8CLK4GSRMAPKAPK2
SCHEMBL4060407 0.74 MEN1 (0.47) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4051353 0.72 CDK8 (0.48) CDK5CDK8CLK4
SCHEMBL4051653 0.72 MAP2K4 (0.48) CDK5CDK8CLK4ADORA2AADORA1
SCHEMBL9251834 0.71 ATM (0.64) ADORA2A
SCHEMBL31014291 0.71 ATM (0.64) ADORA2A
SCHEMBL6317187 0.71 IKBKB (0.43) ADORA2ACHEK2ACMSDIKBKBADORA1
SCHEMBL4049320 0.68 MEN1 (0.46) CDK4CCND1CCNE2CCNE1CDK2

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 CDK4 319/4885CCND1 1894/4885CCNE2 3536/4885

“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.