SCHEMBL25634288

SCHEMBL25634288

CCc1nn(CC(=O)Nc2ncco2)c(=O)c2cc3ccccc3n12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.59
MAPT P10636 1/20 0.57
NPC1 O15118 1/20 0.56
NLRP3 Q96P20 3/20 0.52
POLB P06746 1/20 0.49
THRB P10828 2/20 0.49
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47

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
SCHEMBL25633958 0.86 NLRP3 (0.62) TP53MAPTNPC1NLRP3THRB
SCHEMBL25633984 0.82 NLRP3 (0.73) TP53MAPTNPC1NLRP3POLB
SCHEMBL25634319 0.82 NLRP3 (0.71) TP53MAPTNPC1NLRP3POLB
SCHEMBL25634301 0.82 TP53 (0.70) TP53MAPTNPC1NLRP3THRB
SCHEMBL25633342 0.79 NPC1 (0.72) TP53MAPTNPC1NLRP3THRB
SCHEMBL25633994 0.78 TP53 (0.60) TP53MAPTNPC1NLRP3POLB
SCHEMBL25633990 0.77 THRB (0.77) TP53MAPTNPC1NLRP3THRB
SCHEMBL25633393 0.77 TP53 (0.58) TP53MAPTNPC1NLRP3POLB
SCHEMBL25633423 0.76 NLRP3 (0.77) TP53MAPTNPC1NLRP3POLB
SCHEMBL25633277 0.74 NPC1 (0.66) TP53MAPTNPC1NLRP3THRB

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 TP53 1754/4885MAPT 542/4885NPC1 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.