SCHEMBL21963395

SCHEMBL21963395

Nc1c2c(nc(C(F)(F)F)c1-c1ccc(F)cc1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ADORA2A P29274 1/20 0.52
ACHE P22303 17/20 0.48
BCHE P06276 8/20 0.48
GRIN1 Q05586 5/20 0.48
GRIN2A Q12879 5/20 0.48
CACNB4 O00305 2/20 0.42
CACNA1A O00555 2/20 0.42
CACNA1G O43497 2/20 0.42
CACNG3 O60359 2/20 0.42
CACNA1F O60840 2/20 0.42
CACNA1H O95180 2/20 0.42
CACNB3 P54284 2/20 0.42
CACNA2D1 P54289 2/20 0.42
CACNG7 P62955 2/20 0.42
CACNA1B Q00975 2/20 0.42
CACNA1D Q01668 2/20 0.42
CACNB1 Q02641 2/20 0.42
CACNG1 Q06432 2/20 0.42
CACNB2 Q08289 2/20 0.42

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
SCHEMBL30162655 0.87 ACHE (0.54) KDM4EADORA2AACHEBCHEGRIN1
SCHEMBL22020129 0.87 ACHE (0.54) KDM4EADORA2AACHEBCHEGRIN1
SCHEMBL21963085 0.85 ACHE (0.42) KDM4EADORA2AACHEBCHEGRIN1
SCHEMBL22021220 0.84 ACHE (0.47) KDM4EACHEBCHEGRIN1GRIN2A
SCHEMBL30162742 0.84 ACHE (0.47) KDM4EACHEBCHEGRIN1GRIN2A
SCHEMBL30162064 0.78 ACHE (0.46) KDM4EACHEBCHEGRIN1GRIN2A
SCHEMBL22021219 0.78 ACHE (0.46) KDM4EACHEBCHEGRIN1GRIN2A
SCHEMBL30162391 0.72 ACHE (0.52) KDM4EACHEBCHEGRIN1GRIN2A
SCHEMBL21963214 0.72 ACHE (0.52) KDM4EACHEBCHEGRIN1GRIN2A
SCHEMBL30162320 0.72 ACHE (0.39) KDM4EADORA2AACHEBCHECACNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4667054-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2025-12-24 EP disclosed
EP-3880660-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2025-07-02 EP disclosed
CN-113166065-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2025-04-15 CN disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
EP-3880660-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113166065-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-07-23 CN disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-20160248025-A1 Organic Electroluminescent Device UDC IRELAND LTD (IE) 2016-08-25 US 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4525/4885ADORA2A 485/4885ACHE 4177/4885

“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.