SCHEMBL4708827

SCHEMBL4708827

CCn1nc(-c2cccc([N+](=O)[O-])c2)c(C(C)=O)c(Nc2cccc3ccccc23)c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.51
▸ PDE4A P27815 4/20 0.46
▸ PDE4C Q08493 3/20 0.46
▸ PDE4D Q08499 3/20 0.46
▸ CFTR P13569 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAPK14 Q16539 1/20 0.40
▸ DDR2 Q16832 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL6170308 0.92 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCFTR
SCHEMBL4707901 0.87 PDE4B (0.65) PDE4BMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4708421 0.83 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DCFTR
SCHEMBL3036159 0.83 PDE4B (0.56) PDE4BMAPTSMN1; SMN2
SCHEMBL4708011 0.82 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL3036227 0.82 TBXAS1 (0.55) PDE4BMEN1KMT2AMAPT
SCHEMBL6170267 0.82 PDE4B (0.59) PDE4BACHEBACE1MEN1KMT2A
SCHEMBL4706440 0.82 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DCFTR
SCHEMBL4706063 0.82 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DCFTR
SCHEMBL4707247 0.82 PDE4B (0.75) PDE4BPDE4APDE4CPDE4DCFTR

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-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 — — US claimed
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 — — US claimed
US-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 — — US disclosed
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS DAL PIAZ VITTORIO 2008-10-30 — — US disclosed
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 — — 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 (2 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-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE3A, PDE4B PDE4B 3/4885PDE4A 1/4885PDE4C 8/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B PDE4B 3/4885PDE4A 1/4885PDE4C 8/4885

“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.

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