SCHEMBL22871658

SCHEMBL22871658

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 6/20 0.75
▸ KDM5C P41229 1/20 0.75
▸ KDM5B Q9UGL1 1/20 0.75
▸ PDE9A O76083 7/20 0.60
▸ PARP1 P09874 2/20 0.54
▸ CHUK O15111 2/20 0.49
▸ PDE10A Q9Y233 2/20 0.46
▸ DAO P14920 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ TOP1 P11387 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GABRB1 P18505 1/20 0.43

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
SCHEMBL20870262 0.86 KDM5A (1.00) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL22298103 0.86 KDM5A (0.69) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL4754631 0.86 KDM5A (0.69) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL14442482 0.82 KDM5A (0.64) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL22298231 0.79 PDE9A (0.80) KDM5AKDM5CKDM5BPDE9A
SCHEMBL23885176 0.78 KDM5A (0.55) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL20870243 0.78 PDE9A (0.79) KDM5AKDM5CKDM5BPDE9A
SCHEMBL20870616 0.78 KDM5A (0.59) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL20870101 0.78 PDE9A (0.79) KDM5AKDM5CKDM5BPDE9A
SCHEMBL20870269 0.77 KDM5A (0.57) KDM5AKDM5CKDM5BPDE9APARP1

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-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 (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-10889591-B2 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