SCHEMBL4779596

SCHEMBL4779596

N#Cc1[nH]nc2ncncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.38
DYRK1B Q9Y463 1/20 0.38
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
AXL P30530 3/20 0.32
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
CHUK O15111 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
INSR P06213 1/20 0.31
CDK1 P06493 1/20 0.31
CSF1R P07333 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
FLT1 P17948 1/20 0.31
FGFR3 P22607 1/20 0.31
RPS6KB1 P23443 1/20 0.31

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
SCHEMBL8319708 0.74 DYRK1B (0.40) DYRK1ADYRK1BPIK3CAMTORCHEK1
SCHEMBL21806796 0.71 DYRK1A (0.38) DYRK1ADYRK1BCHEK1AURKACSF1R
SCHEMBL8328800 0.71 DYRK1A (0.52) DYRK1ADYRK1BPIK3CACHEK1AURKA
SCHEMBL15726869 0.71 PIM1 (0.45) DYRK1ADYRK1BCHEK1AURKACSF1R
SCHEMBL8327596 0.71 DYRK1A (0.38) DYRK1ADYRK1BCHEK1AURKACSF1R
SCHEMBL23199596 0.71 DYRK1B (0.45) DYRK1ADYRK1BCHEK1AURKACSF1R
SCHEMBL4553675 0.70 KDM4E (0.34)
SCHEMBL29402652 0.70 KDM4E (0.34)
SCHEMBL1271229 0.68 DYRK1B (0.58) DYRK1ADYRK1BPIK3CAMTORGSK3A
SCHEMBL3433362 0.67 DYRK1A (0.33) DYRK1ADYRK1B

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 16 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-2020123271-A1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-18 WO claimed
WO-2020123272-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-18 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-3894413-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-20 EP disclosed
EP-3893881-A1 CYCLOBUTYL 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
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 DYRK1A 1488/4885DYRK1B 1906/4885PIK3CA 2439/4885

“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.