SCHEMBL20870339

SCHEMBL20870339

COCCOc1cc2c(O)c(C#N)c(=O)[nH]c2cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 18/20 0.61
▸ KDM5A P29375 1/20 0.49
▸ KDM5C P41229 1/20 0.49
▸ KDM5B Q9UGL1 1/20 0.49
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ GABRG1 Q8N1C3 1/20 0.38
▸ GABRG3 Q99928 1/20 0.38
▸ GABRQ Q9UN88 1/20 0.38

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
SCHEMBL22298274 0.87 PDE9A (0.62) PDE9AGABRPGABRDGABRA1GABRB1
SCHEMBL20870280 0.87 PDE9A (0.60) PDE9AKDM5AKDM5CKDM5BGABRP
SCHEMBL20870149 0.86 PDE9A (0.61) PDE9AGABRPGABRDGABRA1GABRB1
SCHEMBL24275765 0.80 PARP1 (0.51) PDE9AKDM5AKDM5CKDM5B
SCHEMBL30526360 0.80 PARP1 (0.51) PDE9AKDM5AKDM5CKDM5B
SCHEMBL22298110 0.78 PDE9A (0.84) PDE9A
SCHEMBL29901255 0.77 PDE9A (0.60) PDE9AKDM5AKDM5CKDM5B
SCHEMBL22275315 0.77 PDE9A (0.60) PDE9AKDM5AKDM5CKDM5B
SCHEMBL20870152 0.76 PDE9A (1.00) PDE9A
SCHEMBL29882701 0.76 PDE9A (0.59) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111658653-B Use of phosphodiesterase inhibitors 药捷安康(南京)科技股份有限公司 2022-09-09 — — CN disclosed
US-11434248-B2 PDE9 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2022-09-06 — — US disclosed
US-20220160696-A1 USES OF PHOSPHODIESTERASE INHIBITORS TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-05-26 — — 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
EP-3939588-A1 USES OF PHOSPHODIESTERASE INHIBITORS Transthera Sciences (Nanjing), Inc. (CN) 2022-01-19 — — EP 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
WO-2020182076-A1 USES OF PHOSPHODIESTERASE INHIBITORS 南京药捷安康生物科技有限公司 2020-09-17 — — WO disclosed
CN-111658653-A Use of phosphodiesterase inhibitors 南京药捷安康生物科技有限公司 2020-09-15 — — CN 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
CN-109575016-A PDE9 inhibitors and uses thereof 南京药捷安康生物科技有限公司 2019-04-05 — — CN 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 (5 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 1199/4885KDM5C 2394/4885
US-20210130366-A1 PDE9 INHIBITOR AND USE THEREOF PDE3A, PDE9A, PDE3B PDE9A 2/4885KDM5A 1199/4885KDM5C 2394/4885
US-11434248-B2 PDE9 inhibitor and use thereof PDE3A, PDE9A, PDE3B PDE9A 2/4885KDM5A 1199/4885KDM5C 2394/4885
US-20200115384-A1 PDE9 INHIBITOR AND USE THEREOF PDE3A, PDE9A, PDE3B PDE9A 2/4885KDM5A 1199/4885KDM5C 2394/4885
US-20220160696-A1 USES OF PHOSPHODIESTERASE INHIBITORS PDE3A, PDE3B, PDE5A PDE9A 13/4885KDM5A 1161/4885KDM5C 2021/4885

“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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