SCHEMBL30837922

SCHEMBL30837922

COc1ccc(Cn2c(=O)c3ccc(Cl)cc3n(C3CCN(C=O)CC3)c2=O)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.79
PDE7B Q9NP56 5/20 0.66
PDE8A O60658 3/20 0.66
TP53 P04637 4/20 0.45
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CES2 O00748 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL136571 1.00 PDE7A (0.79) PDE7APDE7BPDE8ATP53ALDH1A1
SCHEMBL100717 0.88 PDE7A (1.00) PDE7APDE7BPDE8ATP53TSHR
SCHEMBL30837883 0.85 PDE7A (0.76) PDE7APDE7BPDE8ATP53ALDH1A1
SCHEMBL10320444 0.85 PDE7A (0.76) PDE7APDE7BPDE8ATP53ALDH1A1
SCHEMBL100675 0.85 PDE7A (0.76) PDE7APDE7BPDE8ATP53ALDH1A1
SCHEMBL99714 0.85 PDE7A (0.76) PDE7APDE7BPDE8ATP53TSHR
SCHEMBL100084 0.85 PDE7A (0.84) PDE7APDE7BPDE8ATP53TSHR
SCHEMBL100713 0.82 PDE7A (0.83) PDE7APDE7BPDE8ATP53ALDH1A1
SCHEMBL30837831 0.82 PDE7A (0.83) PDE7APDE7BPDE8ATP53ALDH1A1
SCHEMBL30837862 0.82 PDE7A (0.73) PDE7APDE7BPDE8ATP53TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4572765-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE Mitodicure GmbH (DE) 2025-06-25 EP disclosed
WO-2024038089-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE MITODICURE GMBH (DE) 2024-02-22 WO disclosed