SCHEMBL4553675

SCHEMBL4553675

N#Cc1n[nH]c2ncncc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RET P07949 1/20 0.32
PI4KA P42356 1/20 0.32
XDH P47989 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MAPK1 P28482 2/20 0.31
POLB P06746 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL29402652 1.00 KDM4E (0.34) KDM4EALDH1A1LMNAGAAL3MBTL1
SCHEMBL29607726 0.79 PDPK1 (0.32) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL17825577 0.76 AOC1 (0.41)
SCHEMBL1321549 0.74 RET (0.52) KDM4EGAARETPI4KAXDH
SCHEMBL31001140 0.74 RET (0.52) KDM4EGAARETPI4KAXDH
SCHEMBL3986884 0.72 RET (0.36) LMNARETPI4KAXDHLRRK2
SCHEMBL29993245 0.72 XDH (0.55) ALDH1A1LMNARETPI4KAXDH
SCHEMBL19250873 0.71 MAPK1 (0.34) LRRK2MAPK1
SCHEMBL5705726 0.71 RET (0.35) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL5246712 0.71 RET (0.35) RETPI4KAXDHLRRK2PI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894413-B1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP claimed
EP-3894413-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-20 EP claimed
EP-3893881-A1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-20 EP claimed
WO-2020123272-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-18 WO claimed
WO-2020123271-A1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-18 WO claimed
EP-3634964-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-04-15 EP claimed
WO-2018226771-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-12-13 WO claimed
US-20250360137-A1 ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES FREEDOM BIOSCIENCES INC (US) 2025-11-27 US disclosed
WO-2024107445-A1 ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES FREEDOM BIOSCIENCES, INC. (US) 2024-05-23 WO disclosed
EP-3894413-B1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
EP-3634964-B1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME (US) 2022-02-23 EP disclosed
EP-3893881-A1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-20 EP disclosed
EP-3894413-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-20 EP disclosed
WO-2020123272-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-18 WO disclosed
WO-2020123271-A1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-18 WO disclosed
EP-3634964-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-04-15 EP disclosed
WO-2018226771-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-12-13 WO disclosed
EP-2132207-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-16 EP disclosed
WO-2008118454-A2 DERIVATIVES OF QUINOLINE OR BENZOPYRAZINE AND THEIR USES FOR THE TREATMENT OF (INTER ALIA) INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES OR VARIOUS KINDS OF CANCER AMGEN INC. (US) 2008-10-02 WO disclosed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 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 (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-20250360137-A1 ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES PDE9A, PDE3A, PDE2A KDM4E 1355/4885ALDH1A1 1406/4885LMNA 1269/4885

“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.