SCHEMBL22298231

SCHEMBL22298231

N#Cc1c(N2CCCC2)c2ccncc2[nH]c1=O

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 19/20 0.80
▸ KDM5A P29375 1/20 0.60
▸ KDM5C P41229 1/20 0.60
▸ KDM5B Q9UGL1 1/20 0.60

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
SCHEMBL20870101 0.99 PDE9A (0.79) PDE9AKDM5AKDM5CKDM5B
SCHEMBL20870243 0.99 PDE9A (0.79) PDE9AKDM5AKDM5CKDM5B
SCHEMBL20870403 0.89 PDE9A (1.00) PDE9A
SCHEMBL20870397 0.89 PDE9A (1.00) PDE9A
SCHEMBL20870241 0.89 PDE9A (0.76) PDE9AKDM5AKDM5CKDM5B
SCHEMBL22871654 0.88 PDE9A (0.77) PDE9AKDM5AKDM5CKDM5B
SCHEMBL20870608 0.87 PDE9A (0.80) PDE9AKDM5AKDM5CKDM5B
SCHEMBL20870263 0.87 PDE9A (0.83) PDE9AKDM5AKDM5CKDM5B
SCHEMBL20870611 0.87 PDE9A (0.76) PDE9AKDM5AKDM5CKDM5B
SCHEMBL20870254 0.86 PDE9A (0.81) PDE9AKDM5AKDM5CKDM5B

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-3939588-A1 USES OF PHOSPHODIESTERASE INHIBITORS Transthera Sciences (Nanjing), Inc. (CN) 2022-01-19 — — EP disclosed
EP-3689876-A1 PDE9 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co. Ltd. (CN) 2020-08-05 — — EP disclosed
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