SCHEMBL25633281

SCHEMBL25633281

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.59
THRB P10828 1/20 0.50
NPC1 O15118 1/20 0.47
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 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
SCHEMBL25633318 0.90 NLRP3 (0.49) NLRP3THRBNPC1TP53SMN1; SMN2
SCHEMBL30279637 0.90 NLRP3 (0.49) NLRP3THRBNPC1TP53SMN1; SMN2
SCHEMBL30455823 0.89 NLRP3 (0.55) NLRP3THRBNPC1TP53KDM4E
SCHEMBL25633290 0.89 NLRP3 (0.55) NLRP3THRBNPC1TP53KDM4E
SCHEMBL25633344 0.88 NLRP3 (0.61) NLRP3THRBNPC1TP53MAPT
SCHEMBL25633289 0.86 NLRP3 (0.46) NLRP3THRBTP53SMN1; SMN2MAPT
SCHEMBL23975546 0.84 THRB (0.54) THRBNPC1TP53SMN1; SMN2KDM4E
SCHEMBL30279652 0.84 THRB (0.54) THRBNPC1TP53SMN1; SMN2KDM4E
SCHEMBL30279639 0.84 THRB (0.52) NLRP3THRBNPC1TP53SMN1; SMN2
SCHEMBL25633303 0.84 THRB (0.52) NLRP3THRBNPC1TP53SMN1; SMN2

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 2 patents. 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
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 1/4885THRB 277/4885NPC1 364/4885

“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.