SCHEMBL4706044

SCHEMBL4706044

CCn1nc(-c2cccc(F)c2)c(C(C)=O)c(Nc2cccc(C#N)c2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.55
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ CSNK1D P48730 2/20 0.41
▸ CSNK1E P49674 2/20 0.41
▸ KCNK3 O14649 6/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36

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
SCHEMBL4707585 0.92 PDE4B (0.55) PDE4BACHEBACE1CSNK1DCSNK1E
SCHEMBL4706129 0.91 PDE4B (0.44) PDE4BACHEBACE1CSNK1DCSNK1E
SCHEMBL4708376 0.91 PDE4B (0.66) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4708777 0.91 PDE4B (0.62) PDE4BALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4707984 0.90 PDE4B (0.55) PDE4BACHEBACE1KCNK3ALDH1A1
SCHEMBL4708025 0.89 PDE4B (0.55) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL1652093 0.87 PDE4B (0.56) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL6169793 0.87 PDE4B (0.56) PDE4BACHEBACE1KCNK3PDE4A
SCHEMBL3027319 0.87 PDE4B (0.54) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4708502 0.86 KCNK3 (0.41) PDE4BACHEBACE1CSNK1DCSNK1E

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 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
EP-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 — — EP disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 — — 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 (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 3/4885ACHE 51/4885BACE1 1757/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B PDE4B 3/4885ACHE 51/4885BACE1 1757/4885

“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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