SCHEMBL31367994

SCHEMBL31367994

Cc1cc(Cl)cc(C)c1-n1nc2nc(N3CCCC3)[nH]c(=O)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.42
ADORA3 P0DMS8 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTR3A P46098 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
TMIGD3 P0DMS9 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 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
SCHEMBL31368007 0.88 NLRP3 (0.42) ADORA1ADORA3HPGDKDM4ERAB9A
SCHEMBL31368006 0.88 NLRP3 (0.42) ADORA1ADORA3HPGDKDM4ERAB9A
SCHEMBL31368000 0.86 PDE2A (0.44) ADORA3HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL31367980 0.86 NLRP3 (0.42) ADORA1ADORA3HPGDKDM4ERAB9A
SCHEMBL31367991 0.85 ADORA3 (0.36) ADORA1ADORA3HPGDKDM4ERAB9A
SCHEMBL31367988 0.81 ADORA1 (0.39) ADORA1ADORA3HPGDKDM4ERAB9A
SCHEMBL31367977 0.79 NLRP3 (0.45) ADORA3HPGDSMN1; SMN2TP53TSHR
SCHEMBL31367967 0.79 NLRP3 (0.45) ADORA3HPGDSMN1; SMN2TP53TSHR
SCHEMBL31367981 0.77 ADORA1 (0.36) ADORA1ADORA3HPGDKDM4ERAB9A
SCHEMBL31367999 0.77 MEN1 (0.38) ADORA1ADORA3HPGDKDM4ERAB9A

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 ADORA1 100/4885ADORA3 68/4885HPGD 1621/4885

“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.