SCHEMBL21963250

SCHEMBL21963250

CC(=O)Nc1c2c(nc3c1CCC3)CCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
CYP1A2 P05177 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
USP2 O75604 1/20 0.64
KDM4E B2RXH2 4/20 0.60
MAPT P10636 1/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TSHR P16473 1/20 0.57
ACHE P22303 5/20 0.53
TDP1 Q9NUW8 1/20 0.50
APP P05067 1/20 0.43
BCHE P06276 1/20 0.43
MAPK1 P28482 1/20 0.42
BPTF Q12830 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL20681381 0.82 GAA (0.61) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL22020117 0.81 GAA (0.46) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL22020797 0.81 NLRP3 (0.48) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL21963201 0.81 GAA (0.46) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL9031158 0.80 GAA (0.48) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL22019806 0.80 GAA (0.59) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL22021558 0.80 USP2 (0.48) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL22020016 0.80 GAA (0.44) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL24474474 0.77 GAA (0.44) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL24978225 0.76 GAA (0.54) GAACYP1A2NPSR1USP2KDM4E

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 7 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
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
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

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 GAA 1444/4885CYP1A2 1790/4885NPSR1 1195/4885

“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.