SCHEMBL25634017

SCHEMBL25634017

CN(C)c1nn(CC(=O)NC2CCOCC2)c(=O)c2cc3ccccc3n12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.67
NLRP3 Q96P20 2/20 0.53
RXFP1 Q9HBX9 2/20 0.51
TP53 P04637 3/20 0.47
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MCL1 Q07820 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL25634028 0.91 THRB (0.69) THRBNLRP3RXFP1TP53KMT2A
SCHEMBL25634032 0.90 THRB (0.71) THRBNLRP3RXFP1TP53KMT2A
SCHEMBL30073618 0.86 THRB (0.68) THRBNLRP3RXFP1TP53KMT2A
SCHEMBL25633353 0.86 THRB (0.68) THRBNLRP3RXFP1TP53KMT2A
SCHEMBL25633409 0.85 NLRP3 (0.72) THRBNLRP3RXFP1TP53KMT2A
SCHEMBL25634247 0.84 THRB (0.65) THRBNLRP3RXFP1TP53KMT2A
SCHEMBL25634241 0.83 THRB (0.64) THRBNLRP3RXFP1TP53KMT2A
SCHEMBL25634270 0.83 THRB (0.63) THRBNLRP3RXFP1TP53KMT2A
SCHEMBL23975557 0.80 THRB (1.00) THRBRXFP1TP53KMT2ANPC1
SCHEMBL30073575 0.80 THRB (1.00) THRBRXFP1TP53KMT2ANPC1

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 THRB 277/4885NLRP3 1/4885RXFP1 456/4885

“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.