SCHEMBL25753019

SCHEMBL25753019

Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
TSHR P16473 1/20 0.57
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
UBE2N P61088 1/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL23950202 0.84 MAPT (0.50) KMT2ATDP1RAB9AUBE2NMAPT
SCHEMBL23950404 0.77 NLRP3 (0.54) KMT2ATDP1TSHRUBE2NMAPT
SCHEMBL23950187 0.77 POLB (0.46) KMT2AUBE2NMEN1POLB
SCHEMBL23950380 0.75 POLB (0.44) KMT2ATDP1TSHRNPC1RAB9A
SCHEMBL23950418 0.75 NLRP3 (0.43) KMT2ATDP1UBE2NMEN1POLB
SCHEMBL23950468 0.74 NLRP3 (0.60) TSHRMAPTMAPK1ALDH1A1
SCHEMBL25753079 0.74 NLRP3 (0.45) KMT2AUBE2NPOLBTP53
SCHEMBL25753105 0.74 NLRP3 (0.44) KMT2ATDP1UBE2NMEN1POLB
SCHEMBL23950842 0.73 NLRP3 (0.45) KMT2ATDP1UBE2NMEN1POLB
SCHEMBL25753044 0.73 THRB (0.47) KMT2ATDP1NPC1RAB9AUBE2N

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 KMT2A 3325/4885TDP1 944/4885TSHR 4052/4885

“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.