SCHEMBL25818932

SCHEMBL25818932

CC(C)c1nn(CC(=O)Nc2ccncc2P)c(=O)c2cc(C(C)(C)F)cn12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.51
MAPT P10636 6/20 0.40
TP53 P04637 2/20 0.40
RXFP1 Q9HBX9 3/20 0.38
BCL6 P41182 1/20 0.35
NTRK1 P04629 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL25818872 0.87 NLRP3 (0.55) NLRP3MAPTTP53RXFP1BCL6
SCHEMBL23952372 0.84 NLRP3 (0.53) NLRP3MAPTTP53RXFP1NTRK1
SCHEMBL23952218 0.83 NLRP3 (0.74) NLRP3MAPTTP53RXFP1NTRK1
SCHEMBL23952195 0.78 NLRP3 (0.56) NLRP3MAPTTP53RXFP1POLB
SCHEMBL23952384 0.78 NLRP3 (0.55) NLRP3MAPTTP53RXFP1POLB
SCHEMBL25818836 0.77 NLRP3 (0.57) NLRP3MAPTTP53RXFP1POLB
SCHEMBL23952033 0.77 NLRP3 (0.69) NLRP3MAPTTP53RXFP1POLB
SCHEMBL23952058 0.77 NLRP3 (0.54) NLRP3MAPTTP53RXFP1BCL6
SCHEMBL23952032 0.77 NLRP3 (0.54) NLRP3MAPTTP53RXFP1POLB
SCHEMBL23952428 0.76 NLRP3 (0.54) NLRP3MAPTTP53RXFP1POLB

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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B NLRP3 1/4885MAPT 1978/4885TP53 2459/4885

“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.