SCHEMBL6434095

SCHEMBL6434095

Cn1cc(C#N)c2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.54
ADK P55263 1/20 0.52
DYRK1A Q13627 2/20 0.51
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
EIF2AK3 Q9NZJ5 1/20 0.41
KDR P35968 6/20 0.41
ABL1 P00519 4/20 0.41
PIK3CD O00329 3/20 0.41
EGFR P00533 3/20 0.41
HCK P08631 3/20 0.41
SRC P12931 3/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CB P42338 3/20 0.41
MTOR P42345 3/20 0.41
PIK3CG P48736 3/20 0.41
EPHB4 P54760 3/20 0.41
PRKDC P78527 3/20 0.41
LCK P06239 2/20 0.40
DAPK3 O43293 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
SCHEMBL18100297 0.83 LRRK2 (0.57) LRRK2ADKDYRK1AADORA2AADORA1
SCHEMBL20740515 0.80 DYRK1A (0.41) LRRK2ADKDYRK1AEIF2AK3KDR
SCHEMBL25387609 0.80 LRRK2 (0.40) LRRK2ADKDYRK1AADORA2AADORA1
SCHEMBL6364076 0.80 KDR (0.56) LRRK2ADKDYRK1AADORA2AADORA1
SCHEMBL21539330 0.80 ADK (0.49) LRRK2ADKDYRK1AKDRABL1
SCHEMBL18520393 0.80 ADK (0.49) LRRK2ADKDYRK1AADORA2AADORA1
SCHEMBL20810788 0.78 LRRK2 (0.39) LRRK2ADKDYRK1AADORA2AADORA1
SCHEMBL16361030 0.78 LRRK2 (0.39) LRRK2ADKDYRK1AADORA2AADORA1
SCHEMBL12590788 0.78 ADK (0.38) LRRK2ADKDYRK1AEIF2AK3KDR
SCHEMBL24965973 0.77 AHCY (0.42) LRRK2ADKDYRK1AADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4499616-A1 SPIROBICYCLIC COMPOUNDS Acerand Therapeutics (Hong Kong) Limited (HK) 2025-02-05 EP disclosed
CN-119013260-A Spirobicyclic compounds 优领医药科技(香港)有限公司 2024-11-22 CN disclosed
WO-2024091370-A1 5,6-FUSED BICYCLIC HETEROAROMATIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2024-05-02 WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 WO disclosed
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 US disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
US-20160280729-A1 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2016-09-29 US disclosed
US-8759510-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2014-06-24 US disclosed
US-8173621-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2012-05-08 US disclosed
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PHARMASSET, INC. (US) 2010-04-01 US disclosed
WO-2007027248-A2 3', 5' - CYCLIC NUCLEOSIDE ANALOGUES FOR TREATMENT OF HCV VALEANT RESEARCH & DEVELOPMENT (US) 2007-03-08 WO disclosed
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP 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-20160280729-A1 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV ZC3HAV1, HAVCR2, NSUN2 LRRK2 1581/4885ADK 543/4885DYRK1A 2701/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 LRRK2 916/4885ADK 471/4885DYRK1A 913/4885
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP LRRK2 3433/4885ADK 104/4885DYRK1A 3751/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 LRRK2 2035/4885ADK 437/4885DYRK1A 1535/4885

“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.