SCHEMBL4054672

SCHEMBL4054672

CCn1nc(-c2ccc(C)nc2)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.42
ADORA1 P30542 4/20 0.42
ADORA2A P29274 3/20 0.42
ADORA2B P29275 3/20 0.42
HTR2C P28335 1/20 0.40
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
SCHEMBL4058418 0.90 PDE4B (0.44) PDE4BADORA1ADORA2AADORA2BHTR2C
SCHEMBL4050296 0.89 PDE4B (0.48) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4049293 0.88 PDE4B (0.44) PDE4BADORA1ADORA2AADORA2BHTR2C
SCHEMBL4050331 0.88 TBXAS1 (0.53) PDE4BADORA1ADORA2AADORA2BHTR2C
SCHEMBL4053896 0.87 ADRA2A (0.47) PDE4BADORA1ADORA2AADORA2BHTR2C
SCHEMBL4053650 0.86 NPC1 (0.45) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4062757 0.86 PDE4B (0.48) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7316209 0.83 PDE4B (0.61) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4054080 0.83 PDE4B (0.52) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7318158 0.81 PDE4B (0.66) PDE4BADORA1ADORA2AADORA2B

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 6 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
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 PDE4B 5/4885ADORA1 409/4885ADORA2A 729/4885

“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.