SCHEMBL30455823

SCHEMBL30455823

CCOC(=O)Cn1nc(C(C)C)n2c(cc3ccccc32)c1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.55
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL25633290 1.00 NLRP3 (0.55) NLRP3KDM4ETHRBNPC1GAA
SCHEMBL25633281 0.89 NLRP3 (0.59) NLRP3KDM4ETHRBNPC1KMT2A
SCHEMBL25633344 0.86 NLRP3 (0.61) NLRP3THRBNPC1RXFP1TP53
SCHEMBL25633277 0.84 NPC1 (0.66) NLRP3KDM4ETHRBNPC1GAA
SCHEMBL25363429 0.82 NLRP3 (0.61) NLRP3KDM4EGAACYP1A2CYP3A4
SCHEMBL25633297 0.82 KDM4E (0.51) KDM4ETHRBNPC1GAACYP1A2
SCHEMBL30073549 0.82 KDM4E (0.51) KDM4ETHRBNPC1GAACYP1A2
SCHEMBL21677397 0.81 HSD17B10 (0.60) NLRP3KDM4ETHRBRXFP1TP53
SCHEMBL25362163 0.81 KDM4E (0.45) NLRP3KDM4ETHRBGAACYP1A2
SCHEMBL23952530 0.80 KDM4E (0.50) KDM4EGAACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183249-A1 NEW TRIAZINOINDOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US 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-20230183249-A1 NEW TRIAZINOINDOLE COMPOUNDS NLRP3, NLRP1, PYCARD NLRP3 1/4885KDM4E 4088/4885THRB 277/4885

“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.