SCHEMBL4055425

SCHEMBL4055425

CCn1nc(-c2ccccc2)c(-c2nnc(C)o2)c(Nc2ccc(C#N)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.48
PDE4A P27815 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GSK3B P49841 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
SLC34A1 Q06495 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
SCHEMBL5750555 0.93 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL4054102 0.85 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL4054494 0.82 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL4053706 0.78 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL4706139 0.77 PDE4B (0.77) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL5401979 0.73 PDE4B (0.39) PDE4BMAPTADORA1TP53
SCHEMBL4052611 0.72 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL4051201 0.72 PDE4B (0.44) PDE4BMAPTSMN1; SMN2GSK3BADORA1
SCHEMBL4051111 0.71 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DADORA1
SCHEMBL4708156 0.69 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPOLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US claimed
US-20070197536-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) 2007-08-23 US claimed
JP-2007510689-A 2007-04-26 JP claimed
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP claimed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO claimed
US-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US disclosed
US-20070197536-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) 2007-08-23 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-20070197536-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, PDE7A PDE4B 5/4885PDE4A 2/4885PDE4C 11/4885

“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.