SCHEMBL4055321

SCHEMBL4055321

CCn1nc(-c2cccc(Cl)c2)cc(N)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
PDE4B Q07343 10/20 0.44
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR8 Q9NR97 1/20 0.43
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4061285 0.85 NPC1 (0.47) PDE4BADORA2AADORA2BADORA1TP53
SCHEMBL4053270 0.84 SMN1; SMN2 (0.49) PDE4BADORA2AADORA1PDE4APDE4C
SCHEMBL2824627 0.84 PDE4B (0.53) PDE4BADORA2AADORA2BADORA1TP53
SCHEMBL4054250 0.82 KDM4E (0.55) HDAC1PDE4BPDE4APDE4CPDE4D
SCHEMBL2826787 0.82 HDAC1 (0.48) HDAC1ADORA2AADORA1TP53MAPT
SCHEMBL4059984 0.80 TBXAS1 (0.56) HDAC1PDE4BADORA2AADORA2BADORA1
SCHEMBL16664794 0.79 CTSS (0.44) PDE4BADORA2AADORA2BADORA1TP53
SCHEMBL2829672 0.78 HDAC1 (0.45) HDAC1ADORA2AADORA1TP53MAPT
SCHEMBL4055324 0.77 GAA (0.49) TP53MAPTPOLBSMN1; SMN2KDM4E
SCHEMBL4053231 0.77 AURKB (0.48) HDAC1PDE4BADORA2AADORA1PDE4A

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 5 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
CN-1878759-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL PRODESFARMA SA (ES) 2006-12-13 CN 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 HDAC1 368/4885PDE4B 5/4885ADORA2A 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.