SCHEMBL22871682

SCHEMBL22871682

N#Cc1c(NCC2CCCCC2)c2ccncc2[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 2/20 0.53
▸ KDM5C P41229 1/20 0.53
▸ KDM5B Q9UGL1 1/20 0.53
▸ PDE9A O76083 10/20 0.52
▸ KDM4C Q9H3R0 4/20 0.43
▸ UTS2R Q9UKP6 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ AOC1 P19801 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL22275017 0.79 GRM4 (0.51) PDE9AUTS2R
SCHEMBL20870269 0.77 KDM5A (0.57) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL22224803 0.76 PDE9A (0.44) PDE9AUTS2RPARP1
SCHEMBL22298186 0.76 KDM5A (0.56) KDM5AKDM5CKDM5BPDE9AKDM4C
SCHEMBL20870599 0.75 KDM5A (0.55) KDM5AKDM5CKDM5BPDE9ACHUK
SCHEMBL22871658 0.73 KDM5A (0.75) KDM5AKDM5CKDM5BPDE9ACHUK
SCHEMBL20870607 0.73 KDM5A (0.53) KDM5AKDM5CKDM5BPDE9ACHUK
SCHEMBL20870616 0.73 KDM5A (0.59) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL22298103 0.70 KDM5A (0.69) KDM5AKDM5CKDM5BPDE9ACHUK
SCHEMBL20870262 0.70 KDM5A (1.00) KDM5AKDM5CKDM5BPDE9ACHUK

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
US-20210130366-A1 PDE9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-05-06 — — US disclosed
US-10889591-B2 PDE9 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2021-01-12 — — 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-10889591-B2 PDE9 inhibitor and use thereof PDE3A, PDE9A, PDE3B KDM5A 1199/4885KDM5C 2394/4885KDM5B 1464/4885
US-20210130366-A1 PDE9 INHIBITOR AND USE THEREOF PDE3A, PDE9A, PDE3B KDM5A 1199/4885KDM5C 2394/4885KDM5B 1464/4885

“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.

Send feedback