SCHEMBL22280264

SCHEMBL22280264

Cc1c(-c2ccnc(C#N)c2)cc(F)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.39
MYC P01106 1/20 0.37
AAK1 Q2M2I8 1/20 0.35
XDH P47989 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MAPK1 P28482 1/20 0.35
PIK3R2 O00459 1/20 0.34
ALK Q9UM73 1/20 0.33
LRRK2 Q5S007 1/20 0.33
NLRP3 Q96P20 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL22280012 0.87 NPY5R (0.39) NPY5RMYCAAK1XDHABCG2
SCHEMBL22374090 0.86 MYC (0.39) NPY5RMYCAAK1XDHABCG2
SCHEMBL20609873 0.86 MYC (0.39) NPY5RMYCAAK1XDHABCG2
SCHEMBL30112259 0.86 MYC (0.39) NPY5RMYCAAK1XDHABCG2
SCHEMBL20636074 0.83 NPY5R (0.37) NPY5RMYCAAK1XDHABCG2
SCHEMBL22374010 0.82 CCNC (0.39) AAK1MAPK1
SCHEMBL20609767 0.81 MYC (0.36) NPY5RMYCAAK1XDHABCG2
SCHEMBL30684162 0.81 MYC (0.36) NPY5RMYCAAK1XDHABCG2
SCHEMBL22866839 0.79 NLRP3 (0.44) NPY5RMYCAAK1MAPK1NLRP3
SCHEMBL21646546 0.77 NLRP3 (0.44) AAK1NLRP3

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-11370776-B2 Sulfonylureas and sulfonylthioureas as NLRP3 inhibitors INFLAZOME LIMITED (IE) 2022-06-28 US disclosed
US-20200270227-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2020-08-27 US disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 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 (2 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-11370776-B2 Sulfonylureas and sulfonylthioureas as NLRP3 inhibitors NLRP3, NOD1, NLRP1 NPY5R 1571/4885MYC 4049/4885AAK1 3322/4885
US-20200270227-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 NPY5R 1571/4885MYC 4049/4885AAK1 3322/4885

“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.