SCHEMBL22019951

SCHEMBL22019951

CCc1c(C)nc2c(c1N)CCC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
BPTF Q12830 1/20 0.53
KDM4E B2RXH2 2/20 0.47
BCHE P06276 6/20 0.44
GRIN1 Q05586 5/20 0.44
GRIN2A Q12879 5/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL30162808 0.80 ACHE (0.61) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL10590015 0.80 ACHE (0.61) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL24978163 0.79 MEN1 (0.39) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963150 0.78 ACHE (0.46) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22021441 0.78 ACHE (0.46) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL24979083 0.78 ACHE (0.46) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL30162178 0.78 ACHE (0.46) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963471 0.77 ACHE (0.44) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL6822377 0.76 KDM4E (0.42) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL6822592 0.76 KDM4E (0.42) ACHEMEN1MAPK1KMT2ABPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ACHE 4177/4885MEN1 3390/4885MAPK1 1647/4885

“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.