SCHEMBL23336509

SCHEMBL23336509

N#Cc1c(N2CC[C@H](c3nccs3)C2)c2ccncc2[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 19/20 0.60
KDM5A P29375 1/20 0.47
KDM5C P41229 1/20 0.47
KDM5B Q9UGL1 1/20 0.47

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
SCHEMBL20870564 1.00 PDE9A (0.60) PDE9AKDM5AKDM5CKDM5B
SCHEMBL22871692 1.00 PDE9A (0.60) PDE9AKDM5AKDM5CKDM5B
SCHEMBL22298291 0.86 PDE9A (0.42) PDE9AKDM5AKDM5CKDM5B
SCHEMBL20870289 0.85 PDE9A (0.66) PDE9AKDM5AKDM5CKDM5B
SCHEMBL22225310 0.84 PDE9A (0.47) PDE9A
SCHEMBL24276497 0.82 PDE9A (0.58) PDE9A
SCHEMBL22275174 0.82 PDE9A (0.58) PDE9A
SCHEMBL24275785 0.81 PDE9A (0.44) PDE9A
SCHEMBL22225214 0.81 PDE9A (0.44) PDE9A
SCHEMBL22871670 0.81 PDE9A (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130366-A1 PDE9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-05-06 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 (1 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-20210130366-A1 PDE9 INHIBITOR AND USE THEREOF PDE3A, PDE9A, PDE3B PDE9A 2/4885KDM5A 1199/4885KDM5C 2394/4885

“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.