SCHEMBL22013483

SCHEMBL22013483

CC(C)c1c(-c2ccnc(C#N)c2)ccc2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.43
AAK1 Q2M2I8 1/20 0.36
MYC P01106 1/20 0.35
NPY5R Q15761 1/20 0.35
XDH P47989 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
LRRK2 Q5S007 1/20 0.33
USP30 Q70CQ3 4/20 0.33
SLC22A12 Q96S37 1/20 0.32
EED O75530 1/20 0.32
RBBP4 Q09028 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
AEBP2 Q6ZN18 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL22012387 0.84 NLRP3 (0.49) NLRP3AAK1MYCNPY5RXDH
SCHEMBL22014936 0.82 EED (0.35) NLRP3AAK1MYCNPY5RXDH
SCHEMBL22013492 0.81 PARP10 (0.43) AAK1NPY5RNOS3NOS1NOS2
SCHEMBL20634909 0.81 NLRP3 (0.45) NLRP3AAK1MYCNPY5RXDH
SCHEMBL24922421 0.79 NLRP3 (0.48) NLRP3MYCNPY5RXDHABCG2
SCHEMBL22013484 0.79 NLRP3 (0.43) NLRP3AAK1
SCHEMBL22681147 0.78 NLRP3 (0.43) NLRP3MYCNPY5RXDHABCG2
SCHEMBL22013485 0.77 CYP19A1 (0.38) NPY5R
SCHEMBL20634542 0.76 NLRP3 (0.44) NLRP3MYCNPY5RXDHABCG2
SCHEMBL29568690 0.76 NLRP3 (0.44) NLRP3MYCNPY5RXDHABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020154499-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE 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 (3 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885AAK1 933/4885MYC 4690/4885
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885AAK1 1129/4885MYC 4673/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885AAK1 910/4885MYC 4717/4885

“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.