SCHEMBL4052853

SCHEMBL4052853

CCn1nc(-c2ccccc2)c(C(=O)OCC(=O)N2CCCC2)c(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
PDE4B Q07343 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL4050022 0.88 GAA (0.44) PDE4BKDM4EALDH1A1HPGDMAPT
SCHEMBL4059635 0.87 PDE4B (0.43) SMN1; SMN2PDE4BTP53HTTLMNA
SCHEMBL4049469 0.86 PDE4B (0.48) SMN1; SMN2PDE4BKDM4EHPGDMAPT
SCHEMBL4048502 0.86 PDE4B (0.45) SMN1; SMN2PDE4BTP53TSHRHTT
SCHEMBL4051437 0.85 PDE4B (0.42) SMN1; SMN2PDE4BALDH1A1MAPTMEN1
SCHEMBL4055629 0.85 PDE4B (0.44) PDE4BALDH1A1MAPTMEN1TP53
SCHEMBL4053623 0.85 PDE4B (0.45) SMN1; SMN2PDE4BMEN1TP53KMT2A
SCHEMBL4055308 0.85 PDE4B (0.47) SMN1; SMN2PDE4BKDM4EMEN1TP53
SCHEMBL4049916 0.84 PDE4B (0.43) SMN1; SMN2PDE4BTP53HTTLMNA
SCHEMBL4054923 0.84 PDE4B (0.43) SMN1; SMN2PDE4BMAPTMEN1TP53

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 4 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
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 SMN1; SMN2 4776/4885PDE4B 3/4885KDM4E 275/4885

“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.