SCHEMBL4052589

SCHEMBL4052589

CCn1nc(-c2ccccc2)c(C(=O)OCCC(N)=O)c(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.43
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GAA P10253 1/20 0.36
TBXAS1 P24557 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL4053623 0.92 PDE4B (0.45) PDE4BTP53LMNAHTTPDE4A
SCHEMBL4055308 0.90 PDE4B (0.47) PDE4BTP53LMNAHTTPDE4A
SCHEMBL4049916 0.89 PDE4B (0.43) PDE4BTP53LMNAHTTPDE4A
SCHEMBL4049469 0.88 PDE4B (0.48) PDE4BTP53LMNAHTTPDE4A
SCHEMBL4048502 0.88 PDE4B (0.45) PDE4BTP53LMNAHTTPDE4A
SCHEMBL4050022 0.86 GAA (0.44) PDE4BTP53LMNAHTTPDE4A
SCHEMBL4054923 0.86 PDE4B (0.43) PDE4BTP53LMNAHTTPDE4A
SCHEMBL4059635 0.86 PDE4B (0.43) PDE4BTP53LMNAHTTPDE4A
SCHEMBL4054580 0.86 PDE4B (0.53) PDE4BTP53LMNAHTTGAA
SCHEMBL4050523 0.86 PDE4B (0.41) PDE4BTP53LMNAHTTPDE4A

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 3/4885TP53 4073/4885LMNA 4685/4885

“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.