SCHEMBL25753593

SCHEMBL25753593

CC(C)c1nn(CC(=O)Nc2ccnc(C(F)F)c2)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.53
NTRK1 P04629 2/20 0.38
SMARCA2 P51531 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL23950624 0.89 NLRP3 (0.55) NLRP3NTRK1MEN1KMT2ARXFP1
SCHEMBL23950481 0.88 NLRP3 (0.53) NLRP3KMT2A
SCHEMBL23950465 0.87 NLRP3 (0.58) NLRP3NTRK1KMT2A
SCHEMBL23950625 0.86 NLRP3 (0.53) NLRP3NTRK1MEN1KMT2ARXFP1
SCHEMBL23950618 0.86 NLRP3 (0.53) NLRP3NTRK1MEN1KMT2ARXFP1
SCHEMBL23950803 0.84 NLRP3 (0.55) NLRP3KMT2A
SCHEMBL23950182 0.84 NLRP3 (0.53) NLRP3
SCHEMBL23951014 0.84 NLRP3 (0.53) NLRP3KMT2A
SCHEMBL23950536 0.82 NLRP3 (0.57) NLRP3MEN1KMT2ARXFP1
SCHEMBL23950468 0.82 NLRP3 (0.60) NLRP3

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 1/4885NTRK1 4081/4885SMARCA2 4268/4885

“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.