SCHEMBL4051653

SCHEMBL4051653

Nc1c(C(=O)O)c(-c2cccc(F)c2)n[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.48
DHODH Q02127 1/20 0.45
CDK8 P49336 1/20 0.45
CDK5 Q00535 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
NOTUM Q6P988 1/20 0.43
PIN1 Q13526 1/20 0.42
HTR7 P34969 1/20 0.41
KMO O15229 2/20 0.41
ADORA2A P29274 2/20 0.41
GRK6 P43250 1/20 0.41
MAPK1 P28482 2/20 0.40
MAPK6 Q16659 2/20 0.40
MAPKAPK3 Q16644 1/20 0.40
TACR3 P29371 2/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
ADORA2B P29275 1/20 0.39
ADORA1 P30542 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
SCHEMBL4052978 0.85 MAP2K4 (0.44) MAP2K4DHODHCDK8CDK5CLK4
SCHEMBL4060155 0.84 DHODH (0.47) MAP2K4DHODHCDK8CDK5CLK4
SCHEMBL4059335 0.84 CDK8 (0.60) MAP2K4DHODHCDK8CDK5CLK4
SCHEMBL4051353 0.84 CDK8 (0.48) MAP2K4DHODHCDK8CDK5CLK4
SCHEMBL4055217 0.74 CDK8 (0.49) MAP2K4DHODHCDK8CDK5CLK4
SCHEMBL4666226 0.73 DHODH (0.68) DHODHADORA2ATACR3
SCHEMBL8889925 0.73 MAP2K4 (0.45) MAP2K4NOTUMPIN1HTR7ADORA2A
SCHEMBL4061368 0.73 PDE4B (0.43) DHODHCDK8CDK5CLK4TACR3
SCHEMBL13733599 0.72 LMNA (0.49) DHODHPIN1HTR7KMOADORA2A
SCHEMBL4057666 0.72 CDK4 (0.41) CDK8CDK5CLK4ADORA2AADORA1

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 MAP2K4 912/4885DHODH 441/4885CDK8 808/4885

“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.