SCHEMBL4705545

SCHEMBL4705545

CC(=O)c1c(-c2ccccc2)nn(CCO)c(=O)c1Nc1cccc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.54
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MCHR1 Q99705 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 1/20 0.40
CSF1R P07333 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL1654875 0.93 PDE4B (0.46) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL4706129 0.91 PDE4B (0.44) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL4708376 0.91 PDE4B (0.66) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL3029577 0.88 GRM4 (0.43) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL4706654 0.86 PDE4B (0.52) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL4706453 0.86 PDE4B (0.56) PDE4BACHEBACE1MCHR1PARP1
SCHEMBL4708005 0.84 ALDH1A1 (0.48) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL4708156 0.84 PDE4B (0.59) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL1652093 0.83 PDE4B (0.56) PDE4BACHEBACE1ALDH1A1POLB
SCHEMBL4707585 0.83 PDE4B (0.55) PDE4BACHEBACE1ALDH1A1POLB

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 3 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

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.