SCHEMBL20870614

SCHEMBL20870614

CCc1ncc(-c2c(C#N)c(=O)[nH]c3cnccc23)cn1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 13/20 0.73
▸ KDM5A P29375 4/20 0.55
▸ KDM5B Q9UGL1 2/20 0.55
▸ KDM5C P41229 1/20 0.55
▸ PDE1C Q14123 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.41
▸ PARP1 P09874 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
SCHEMBL22298179 0.88 PDE9A (0.57) PDE9AKDM5AKDM5BKDM5CPARP1
SCHEMBL20870106 0.85 PDE9A (1.00) PDE9AKDM5AKDM5BKDM5CPDE1C
SCHEMBL24275738 0.81 PDE9A (0.58) PDE9APDE1C
SCHEMBL22274878 0.79 PDE9A (0.67) PDE9APDE1CPDE10APARP1
SCHEMBL22225228 0.78 PDE9A (0.47) PDE9APDE1C
SCHEMBL24275940 0.76 PDE9A (0.45) PDE9APDE1C
SCHEMBL22871658 0.75 KDM5A (0.75) PDE9AKDM5AKDM5BKDM5CPDE10A
SCHEMBL22298103 0.74 KDM5A (0.69) PDE9AKDM5AKDM5BKDM5CPDE10A
SCHEMBL20870262 0.72 KDM5A (1.00) PDE9AKDM5AKDM5BKDM5CPARP1
SCHEMBL4754631 0.72 KDM5A (0.69) PDE9AKDM5AKDM5BKDM5CPDE10A

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 3 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
WO-2019062733-A1 PDE9 INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-04-04 — — WO 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 PDE9A 2/4885KDM5A 1199/4885KDM5B 1464/4885
US-20210130366-A1 PDE9 INHIBITOR AND USE THEREOF PDE3A, PDE9A, PDE3B PDE9A 2/4885KDM5A 1199/4885KDM5B 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.

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