SCHEMBL31367993

SCHEMBL31367993

Cc1cc(Br)cc(C)c1-n1nc2nc(N3CCCC3)[nH]c(=S)c2n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
NLRP3 Q96P20 2/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.30
GFER P55789 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL31367989 0.90 PIM1 (0.39) PIM1NLRP3MEN1KMT2AHSD17B10
SCHEMBL31368006 0.86 NLRP3 (0.42) PIM1NLRP3MEN1CYP1A2CYP2C19
SCHEMBL31368007 0.86 NLRP3 (0.42) PIM1NLRP3MEN1CYP1A2CYP2C19
SCHEMBL31367996 0.85 PDE2A (0.31)
SCHEMBL31367980 0.84 NLRP3 (0.42) PIM1NLRP3MEN1CYP1A2CYP2C19
SCHEMBL31367977 0.76 NLRP3 (0.45) PIM1NLRP3MEN1KMT2AHSD17B10
SCHEMBL31367967 0.76 NLRP3 (0.45) PIM1NLRP3MEN1KMT2AHSD17B10
SCHEMBL31367984 0.76 PIM1 (0.32) PIM1MEN1KMT2AHSD17B10
SCHEMBL31367994 0.74 ADORA1 (0.42) MEN1CYP1A2CYP2C19KMT2AGFER
SCHEMBL31368000 0.73 PDE2A (0.44) MEN1CYP1A2CYP2C19KMT2A

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-20250092051-A1 NLRP3 MODULATORS AND USE THEREOF Bioentropy Inc. (US) 2025-03-20 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-20250092051-A1 NLRP3 MODULATORS AND USE THEREOF NLRP3, NLRP1, NOD1 PIM1 3046/4885NLRP3 1/4885MEN1 3389/4885

“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.