SCHEMBL4050108

SCHEMBL4050108

CCn1nc(-c2ccccc2)c(C(=O)O)c(Nc2cccnc2)c1=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.63
TBXAS1 P24557 1/20 0.51
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
LMNA P02545 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
SCHEMBL4060223 0.93 PDE4B (0.55) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3036709 0.93 PDE4B (0.71) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4052389 0.92 PDE4B (0.54) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4054904 0.91 PDE4B (0.57) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4059882 0.90 PDE4B (0.52) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4052442 0.89 PDE4B (0.52) PDE4BTBXAS1ALDH1A1L3MBTL1LMNA
SCHEMBL4053547 0.89 PDE4B (0.56) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4054901 0.89 PDE4B (0.56) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3038578 0.88 PDE4B (0.55) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4054578 0.88 PDE4B (0.50) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2

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 PDE4B 3/4885TBXAS1 1019/4885ALDH1A1 324/4885

“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.