SCHEMBL22019995

SCHEMBL22019995

CC(C)(C)c1c2c(nc3c1CCC3)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
BPTF Q12830 1/20 0.48
USP2 O75604 1/20 0.47
KDM4E B2RXH2 5/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NUDT1 P36639 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
TSHR P16473 1/20 0.35
IGF1R P08069 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL22020511 0.98 MEN1 (0.52) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL24871670 0.96 ACHE (0.45) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL24871669 0.85 USP2 (0.33) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL22019719 0.84 USP2 (0.37) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL22019941 0.84 USP2 (0.37) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL24978217 0.79 GAA (0.42) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL24977969 0.78 NLRP3 (0.38) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL24978070 0.78 NLRP3 (0.38) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL24978144 0.78 USP2 (0.36) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL22019716 0.78 USP2 (0.33) ACHEMEN1KMT2AMAPK1BPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 US disclosed
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 US disclosed
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-12 US disclosed
US-20210395268-A1 CHEMICAL COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2021-12-23 US disclosed
US-20210395241-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2021-12-23 US disclosed
US-11040985-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2021-06-22 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 (7 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 3390/4885KMT2A 4441/4885
US-20210395241-A1 NLRP MODULATORS NLRP1, NLRP3, NOD1 ACHE 4848/4885MEN1 4177/4885KMT2A 3943/4885
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ACHE 4292/4885MEN1 3418/4885KMT2A 4433/4885
US-20210395268-A1 CHEMICAL COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY IL1B, IL1A, IL18 ACHE 4373/4885MEN1 4064/4885KMT2A 4240/4885
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ACHE 4656/4885MEN1 2868/4885KMT2A 2653/4885
US-11040985-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 ACHE 4373/4885MEN1 4064/4885KMT2A 4240/4885
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 ACHE 4373/4885MEN1 4064/4885KMT2A 4240/4885

“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.