SCHEMBL23930389

SCHEMBL23930389

CCOC(=O)Cn1nc(OC)n2c(cc3scnc32)c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 2/20 0.43
NLRP3 Q96P20 3/20 0.42
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 2/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL25241917 0.86 KDM4E (0.46) KDM4EHSD17B10NLRP3GAATP53
SCHEMBL21677367 0.84 NLRP3 (0.57) KDM4EHSD17B10NLRP3GAATP53
SCHEMBL25771199 0.84 KDM4E (0.44) KDM4EHSD17B10NLRP3GAATP53
SCHEMBL25244370 0.83 KDM4E (0.43) KDM4EHSD17B10NLRP3GAATP53
SCHEMBL25291090 0.78 HSD17B10 (0.39) KDM4EHSD17B10NLRP3CYP2C19CYP1A2
SCHEMBL30194142 0.77 NLRP3 (0.49) KDM4EHSD17B10NLRP3TP53THRB
SCHEMBL25771182 0.77 NLRP3 (0.45) HSD17B10NLRP3TP53THRBPOLB
SCHEMBL30193839 0.76 NLRP3 (0.44) HSD17B10NLRP3TP53THRBPOLB
SCHEMBL30193791 0.75 NLRP3 (0.51) NLRP3TP53THRBPOLB
SCHEMBL25771179 0.74 NLRP3 (0.41) NLRP3THRBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203064-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203064-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203064-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
EP-4139312-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF NLRP3 JANSSEN Pharmaceutica NV (BE) 2023-03-01 EP disclosed
WO-2021214284-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2021-10-28 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-20230203064-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF NLRP3 NLRP3, NLRP1, NOD1 KDM4E 3915/4885HSD17B10 373/4885NLRP3 1/4885

“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.