SCHEMBL25753079

SCHEMBL25753079

Cc1nn(CC(=O)N[C@H]2CCN(Cc3ccncc3)C2)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
UBE2N P61088 1/20 0.44
THRB P10828 2/20 0.44
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.41
BACE1 P56817 1/20 0.41
TP53 P04637 1/20 0.41
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL25754628 0.77 NLRP3 (0.50) NLRP3UBE2NTHRBKMT2APOLB
SCHEMBL23950819 0.77 THRB (0.48) NLRP3UBE2NTHRBKMT2APOLB
SCHEMBL23950404 0.76 NLRP3 (0.54) NLRP3UBE2NTHRBKMT2APOLB
SCHEMBL25753070 0.75 THRB (0.42) NLRP3UBE2NTHRBKMT2APOLB
SCHEMBL23950844 0.75 THRB (0.42) NLRP3UBE2NTHRBKMT2APOLB
SCHEMBL25753044 0.74 THRB (0.47) NLRP3UBE2NTHRBKMT2APOLB
SCHEMBL23950187 0.74 POLB (0.46) NLRP3UBE2NTHRBKMT2APOLB
SCHEMBL25753019 0.74 KMT2A (0.69) UBE2NKMT2APOLBTP53
SCHEMBL23950818 0.74 NLRP3 (0.62) NLRP3UBE2NTHRBKMT2APOLB
SCHEMBL23950836 0.73 THRB (0.45) NLRP3UBE2NTHRBKMT2APOLB

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-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

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 NLRP3 1/4885SIGMAR1 1787/4885UBE2N 2049/4885

“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.