SCHEMBL20870616

SCHEMBL20870616

N#Cc1c(Nc2ccccc2)c2ccncc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.59
▸ KDM5C P41229 1/20 0.59
▸ KDM5B Q9UGL1 1/20 0.59
▸ PDE9A O76083 8/20 0.49
▸ PARP1 P09874 2/20 0.49
▸ MAPT P10636 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MET P08581 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ IDO1 P14902 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
SCHEMBL22298182 0.88 KDM5A (0.56) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL20870340 0.88 KDM5A (0.56) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL22871683 0.85 PDE9A (0.67) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL24275690 0.84 PDE9A (0.58) PDE9APARP1MAPTMAP2K1NPSR1
SCHEMBL20870269 0.84 KDM5A (0.57) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL22871658 0.78 KDM5A (0.75) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL24063504 0.76 PDE9A (0.53) PDE9APARP1MAPTMAP2K1NPSR1
SCHEMBL22298186 0.76 KDM5A (0.56) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL20870599 0.75 KDM5A (0.55) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL24275619 0.74 PDE9A (0.50) PDE9AMAPTMAP2K1METKDR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434248-B2 PDE9 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2022-09-06 — — US disclosed
CN-113956252-A PDE9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-01-21 — — CN disclosed
CN-109575016-B PDE9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-01-04 — — CN disclosed
US-20210130366-A1 PDE9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-05-06 — — US disclosed
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
US-10889591-B2 PDE9 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2021-01-12 — — US disclosed
EP-3689876-A1 PDE9 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co. Ltd. (CN) 2020-08-05 — — EP disclosed
EP-3689876-A1 PDE9 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co. Ltd. (CN) 2020-08-05 — — EP disclosed
US-20200115384-A1 PDE9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2020-04-16 — — 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 (4 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
US-11434248-B2 PDE9 inhibitor and use thereof PDE3A, PDE9A, PDE3B KDM5A 1199/4885KDM5C 2394/4885KDM5B 1464/4885
US-20200115384-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.

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