SCHEMBL4059335

SCHEMBL4059335

Nc1c(C(=O)O)c(-c2ccccc2)n[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.60
CDK5 Q00535 2/20 0.60
CLK4 Q9HAZ1 2/20 0.60
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 4/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GSR P00390 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
MAP2K4 P45985 1/20 0.43
DHODH Q02127 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL4060155 0.87 DHODH (0.47) CDK8CDK5CLK4ATMNPSR1
SCHEMBL4055217 0.86 CDK8 (0.49) CDK8CDK5CLK4ATMNPSR1
SCHEMBL4051353 0.84 CDK8 (0.48) CDK8CDK5CLK4RAB9ANPC1
SCHEMBL4051653 0.84 MAP2K4 (0.48) CDK8CDK5CLK4MAP2K4DHODH
SCHEMBL4053818 0.83 CDK8 (0.57) CDK8CDK5CLK4ATMNPSR1
SCHEMBL5069948 0.83 ALDH1A1 (0.49) CDK8CDK5CLK4ATMNPSR1
SCHEMBL2650149 0.81 CLK4 (0.57) CDK8CDK5CLK4ATMNPSR1
Hydrochloric Acid SCHEMBL2650936 0.81 NPSR1 (0.65) CDK8CDK5CLK4ATMNPSR1
SCHEMBL4057666 0.80 CDK4 (0.41) CDK8CDK5CLK4GSRFLT1
SCHEMBL10977595 0.80 MEN1 (0.56) CDK8CDK5CLK4ATMNPSR1

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 CDK8 808/4885CDK5 331/4885CLK4 1543/4885

“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.