SCHEMBL4054450

SCHEMBL4054450

CCn1nc(-c2ccccc2)c(C(=O)O)c(Nc2cncc3ncccc23)c1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.52
TBXAS1 P24557 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4054580 0.89 PDE4B (0.53) PDE4BTBXAS1SMN1; SMN2TP53TSHR
SCHEMBL4050522 0.87 PDE4B (0.55) PDE4BTBXAS1SMN1; SMN2TP53TSHR
SCHEMBL1654740 0.82 PDE4B (0.60) PDE4BTBXAS1SMN1; SMN2TP53TSHR
SCHEMBL4054444 0.82 PDE4B (0.56) PDE4BTBXAS1SMN1; SMN2TP53ADORA3
SCHEMBL4053752 0.81 PDE4B (0.49) PDE4BTBXAS1SMN1; SMN2TP53GAA
SCHEMBL4052197 0.81 PDE4B (0.52) PDE4BTBXAS1SMN1; SMN2TP53TSHR
SCHEMBL4049469 0.81 PDE4B (0.48) PDE4BTBXAS1SMN1; SMN2TP53TSHR
SCHEMBL4056761 0.80 PDE4B (0.38) PDE4BTBXAS1SMN1; SMN2TP53TSHR
SCHEMBL1654521 0.80 PDE4B (0.62) PDE4BTBXAS1SMN1; SMN2TP53ADORA3
SCHEMBL3022117 0.80 PDE4B (0.62) PDE4BTBXAS1SMN1; SMN2TP53TSHR

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 1019/4885SMN1; SMN2 4776/4885

“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.