SCHEMBL4054079

SCHEMBL4054079

CCOC(=O)c1c(-c2ccccc2)nn(CC)c(=O)c1Nc1cnccc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.50
PDE4A P27815 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
GAA P10253 1/20 0.41
TBXAS1 P24557 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4050538 0.94 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4061334 0.93 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4056545 0.93 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4052791 0.93 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5262361 0.92 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4049167 0.91 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4052751 0.91 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4056467 0.90 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4054444 0.90 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL1652356 0.89 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE3B

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 3/4885PDE4A 2/4885PDE4C 6/4885

“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.