SCHEMBL4056170

SCHEMBL4056170

CCCC(=O)OCOC(=O)c1c(-c2cccc(F)c2)nn(CC)c(=O)c1Nc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.42
CSNK1E P49674 2/20 0.40
TBXAS1 P24557 1/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
NOTUM Q6P988 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NLRP3 Q96P20 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 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
SCHEMBL5265113 0.95 PDE4B (0.40) PDE4BCSNK1ETBXAS1ALDH1A1L3MBTL1
SCHEMBL4052633 0.91 PDE4B (0.43) PDE4BTBXAS1ALDH1A1L3MBTL1LMNA
SCHEMBL4052874 0.91 PDE4B (0.44) PDE4BCSNK1ETBXAS1ALDH1A1LMNA
SCHEMBL4052248 0.90 PDE4B (0.52) PDE4BTBXAS1ALDH1A1L3MBTL1LMNA
SCHEMBL4052442 0.86 PDE4B (0.52) PDE4BCSNK1ETBXAS1ALDH1A1L3MBTL1
SCHEMBL3033404 0.86 PDE4B (0.56) PDE4BCSNK1ETBXAS1ALDH1A1L3MBTL1
SCHEMBL4051493 0.85 PDE4B (0.50) PDE4BTBXAS1ALDH1A1L3MBTL1LMNA
SCHEMBL4053504 0.83 PDE4B (0.53) PDE4BTBXAS1ALDH1A1L3MBTL1LMNA
SCHEMBL4050541 0.82 PDE4B (0.46) PDE4BTBXAS1ALDH1A1LMNAKDM4E
SCHEMBL4054775 0.81 PDE4B (0.46) PDE4BTBXAS1ALDH1A1LMNAKDM4E

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 2 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 claimed
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

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 PDE4B 3/4885CSNK1E 1903/4885TBXAS1 1019/4885

“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.