SCHEMBL4053706

SCHEMBL4053706

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADORA3 P0DMS8 1/20 0.44
ADORA1 P30542 1/20 0.44
TP53 P04637 2/20 0.42
CDK8 P49336 1/20 0.40
ACVR1 Q04771 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TBXAS1 P24557 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL4054102 0.78 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4055425 0.78 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4051978 0.75 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4052865 0.74 ADORA3 (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4059371 0.73 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4059086 0.73 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL5750555 0.72 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4060177 0.71 ADORA3 (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4051575 0.71 CSF1R (0.56) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4059586 0.71 ADORA3 (0.50) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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-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
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 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-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 PDE4A 2/4885PDE4B 5/4885PDE4C 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.