SCHEMBL4051353

SCHEMBL4051353

Cc1cccc(-c2n[nH]c(=O)c(N)c2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.48
CDK5 Q00535 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
MAP2K4 P45985 3/20 0.44
RIPK2 O43353 1/20 0.43
PIN1 Q13526 1/20 0.43
NOTUM Q6P988 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTR7 P34969 1/20 0.41
KMO O15229 2/20 0.41
DHODH Q02127 1/20 0.41
XDH P47989 1/20 0.41
GRK6 P43250 1/20 0.41
MAPK1 P28482 2/20 0.40
MAPKAPK3 Q16644 2/20 0.40
MAPK6 Q16659 2/20 0.40
MAPT P10636 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40

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
SCHEMBL4058218 0.86 HSD17B10 (0.51) CDK8CDK5CLK4MAP2K4RIPK2
SCHEMBL4059335 0.84 CDK8 (0.60) CDK8CDK5CLK4MAP2K4LMNA
SCHEMBL4051653 0.84 MAP2K4 (0.48) CDK8CDK5CLK4MAP2K4PIN1
SCHEMBL4055217 0.83 CDK8 (0.49) CDK8CDK5CLK4MAP2K4LMNA
SCHEMBL4060155 0.76 DHODH (0.47) CDK8CDK5CLK4MAP2K4NOTUM
SCHEMBL8887907 0.74 SMN1; SMN2 (0.46) MAP2K4RIPK2PIN1NOTUMHTR7
SCHEMBL4059360 0.74 RIPK2 (0.47) CDK8CDK5CLK4RIPK2
SCHEMBL4057666 0.72 CDK4 (0.41) CDK8CDK5CLK4
SCHEMBL4053818 0.72 CDK8 (0.57) CDK8CDK5CLK4LMNAMAPK1
SCHEMBL4052978 0.72 MAP2K4 (0.44) CDK8CDK5CLK4MAP2K4NOTUM

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.