SCHEMBL4051600

SCHEMBL4051600

CCn1nc(-c2ccccc2)cc(Nc2csc3cnccc23)c1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.41
PDE4B Q07343 15/20 0.41
ADORA1 P30542 5/20 0.40
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 0.40
ADORA3 P0DMS8 1/20 0.39
GPR142 Q7Z601 1/20 0.38

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
SCHEMBL4052263 0.81 PDE4B (0.52) TBXAS1PDE4BADORA1ADORA2AADORA2B
SCHEMBL4049578 0.78 TBXAS1 (0.49) TBXAS1PDE4BADORA1ADORA2AADORA2B
SCHEMBL4061144 0.76 PDE4B (0.43) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4053896 0.76 ADRA2A (0.47) TBXAS1PDE4BADORA1ADORA2AADORA2B
SCHEMBL4050296 0.76 PDE4B (0.48) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4056922 0.76 PDE4B (0.48) TBXAS1PDE4BADORA1ADORA3
SCHEMBL4057614 0.76 TBXAS1 (0.44) TBXAS1PDE4BADORA1ADORA2AADORA2B
SCHEMBL4055345 0.75 GAA (0.47) PDE4BADORA1ADORA2AADORA2B
SCHEMBL4059098 0.75 TBXAS1 (0.44) TBXAS1PDE4BADORA1ADORA2AADORA2B
SCHEMBL4055066 0.75 TBXAS1 (0.48) TBXAS1PDE4BADORA1ADORA2AADORA2B

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 TBXAS1 498/4885PDE4B 5/4885ADORA1 409/4885

“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.