SCHEMBL4053752

SCHEMBL4053752

CCn1nc(-c2ccc(C)cc2)c(C(=O)O)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
RAB9A P51151 1/20 0.45
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.39
TBXAS1 P24557 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
SCHEMBL4050522 0.94 PDE4B (0.55) PDE4BKMT2AMEN1GAATP53
SCHEMBL3028542 0.93 PDE4B (0.54) PDE4BRAB9AKMT2AMEN1GAA
SCHEMBL4056463 0.90 ALDH1A1 (0.45) PDE4BRAB9AKMT2AMEN1GAA
SCHEMBL3022117 0.88 PDE4B (0.62) PDE4BKMT2AMEN1TP53SMN1; SMN2
SCHEMBL4676348 0.87 PDE4B (0.67) PDE4BTP53SMN1; SMN2TBXAS1
SCHEMBL4053711 0.86 PDE4B (0.45) PDE4BTP53MAPTSMN1; SMN2TBXAS1
SCHEMBL4048555 0.86 PDE4B (0.48) PDE4BKMT2AMEN1GAAMAPT
SCHEMBL4053849 0.85 PDE4B (0.39) PDE4BRAB9AKMT2AMEN1GAA
SCHEMBL3033040 0.84 PDE4B (0.55) PDE4BKMT2AMEN1ALDH1A1TP53
SCHEMBL4057540 0.84 ADORA1 (0.45) PDE4BRAB9AKMT2AMEN1ALDH1A1

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 3/4885RAB9A 1677/4885KMT2A 1725/4885

“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.