SCHEMBL22019979

SCHEMBL22019979

Nc1c2c(nc(C(F)(F)F)c1C1CC1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
BPTF Q12830 1/20 0.46
NLRP3 Q96P20 1/20 0.42
EEF2K O00418 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 7/20 0.36
GRIN1 Q05586 5/20 0.36
GRIN2A Q12879 5/20 0.36

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
SCHEMBL30162299 1.00 ACHE (0.46) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963472 0.85 ACHE (0.41) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22019783 0.81 SMN1; SMN2 (0.40) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL24978541 0.80 SMN1; SMN2 (0.39) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963238 0.78 ACHE (0.42) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22020383 0.78 NLRP3 (0.44) MAPK1NLRP3EEF2KSMN1; SMN2L3MBTL1
SCHEMBL21962951 0.77 ACHE (0.52) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL30162391 0.77 ACHE (0.52) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963214 0.77 ACHE (0.52) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22020326 0.76 ACHE (0.50) 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 2 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
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.