SCHEMBL25753070

SCHEMBL25753070

Cc1nn(CC(=O)N[C@@H]2CCN(c3nc4cccnc4o3)C2)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
NLRP3 Q96P20 2/20 0.42
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.38
UBE2N P61088 1/20 0.36
CHRNA7 P36544 3/20 0.36
CHRNA1 P02708 1/20 0.35
CHRNA3 P32297 1/20 0.35
HTR3A P46098 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL23950844 1.00 THRB (0.42) THRBNLRP3POLBTP53UBE2N
SCHEMBL25753079 0.75 NLRP3 (0.45) THRBNLRP3POLBTP53UBE2N
SCHEMBL25754628 0.71 NLRP3 (0.50) THRBNLRP3POLBTP53UBE2N
SCHEMBL23950819 0.71 THRB (0.48) THRBNLRP3POLBTP53UBE2N
SCHEMBL23950404 0.70 NLRP3 (0.54) THRBNLRP3POLBUBE2NKMT2A
SCHEMBL23950419 0.70 THRB (0.45) THRBNLRP3POLBTP53UBE2N
SCHEMBL25753044 0.68 THRB (0.47) THRBNLRP3POLBTP53UBE2N
SCHEMBL23950187 0.68 POLB (0.46) THRBNLRP3POLBUBE2NKMT2A
SCHEMBL25753019 0.68 KMT2A (0.69) POLBTP53UBE2NKMT2ATDP1
SCHEMBL23950818 0.68 NLRP3 (0.62) THRBNLRP3POLBTP53UBE2N

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 THRB 2320/4885NLRP3 1/4885POLB 4527/4885

“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.