SCHEMBL23950419

SCHEMBL23950419

Cc1nn(CC(=O)N[C@H]2C[C@@H](OCc3ccccc3Cl)C2)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.45
TP53 P04637 2/20 0.43
CHRNA7 P36544 3/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNA3 P32297 1/20 0.41
HTR3A P46098 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NLRP3 Q96P20 1/20 0.40
UBE2N P61088 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL23950819 0.80 THRB (0.48) THRBTP53CHRNA7CHRNA1CHRNA3
SCHEMBL25753044 0.76 THRB (0.47) THRBTP53CHRNA7CHRNA1CHRNA3
SCHEMBL25754628 0.75 NLRP3 (0.50) THRBTP53CHRNA7CHRNA1CHRNA3
SCHEMBL25753079 0.72 NLRP3 (0.45) THRBTP53POLBKMT2ANLRP3
SCHEMBL23950380 0.72 POLB (0.44) THRBTP53POLBKMT2AMEN1
SCHEMBL23950187 0.71 POLB (0.46) THRBPOLBKMT2AMEN1RXFP1
SCHEMBL23950818 0.71 NLRP3 (0.62) THRBTP53POLBKMT2AMEN1
SCHEMBL25753085 0.71 THRB (0.45) THRBTP53CHRNA7CHRNA1CHRNA3
SCHEMBL23950836 0.71 THRB (0.45) THRBTP53CHRNA7CHRNA1CHRNA3
SCHEMBL23950842 0.70 NLRP3 (0.45) THRBTP53POLBKMT2AMEN1

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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 THRB 2320/4885TP53 2445/4885CHRNA7 4228/4885

“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.