SCHEMBL4055217

SCHEMBL4055217

Cc1ccc(-c2n[nH]c(=O)c(N)c2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.49
CDK5 Q00535 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MAPK1 P28482 4/20 0.46
MAP2K4 P45985 2/20 0.46
MAPKAPK3 Q16644 2/20 0.46
MAPK6 Q16659 2/20 0.46
ALPL P05186 1/20 0.44
MAPKAPK2 P49137 1/20 0.42
MAPKAPK5 Q8IW41 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SIRT1 Q96EB6 1/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL4060155 0.86 DHODH (0.47) CDK8CDK5CLK4MAPK1MAP2K4
SCHEMBL4059335 0.86 CDK8 (0.60) CDK8CDK5CLK4MAPK1MAP2K4
SCHEMBL4051353 0.83 CDK8 (0.48) CDK8CDK5CLK4MAPK1MAP2K4
SCHEMBL4057666 0.77 CDK4 (0.41) CDK8CDK5CLK4MAPKAPK2GSR
SCHEMBL4051653 0.74 MAP2K4 (0.48) CDK8CDK5CLK4MAPK1MAP2K4
SCHEMBL4053818 0.74 CDK8 (0.57) CDK8CDK5CLK4MAPK1MEN1
SCHEMBL28749489 0.73 MAP2K4 (0.51) MAPK1MAP2K4MAPKAPK3MAPK6ALPL
SCHEMBL4060695 0.72 LMNA (0.58) CDK8CDK5CLK4MAPK1MAP2K4
SCHEMBL7477289 0.72 MAP2K4 (0.48) MAPK1MAP2K4MAPK6ALPLLMNA
SCHEMBL4060407 0.71 MEN1 (0.47) CDK8CDK5CLK4MAPK1ALPL

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.