SCHEMBL31367969

SCHEMBL31367969

O=c1[nH]c(N2CCOCC2)nc2nn(-c3c(F)cc(C4CC4)cc3Cl)nc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
IRAK4 Q9NWZ3 10/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL31367971 0.89 KMT2A (0.38) KMT2AIRAK4TSHRALDH1A1PDE3B
SCHEMBL31367978 0.87 PDE3B (0.38) KMT2AIRAK4TSHRALDH1A1PDE3B
SCHEMBL31367976 0.84 KMT2A (0.41) KMT2AIRAK4TSHRALDH1A1MEN1
SCHEMBL31367970 0.78 IRAK4 (0.35) KMT2AIRAK4TSHRALDH1A1PDE3B
SCHEMBL31367981 0.77 ADORA1 (0.36) KMT2ATSHRMEN1HSD17B10TNKS
SCHEMBL31367998 0.76 POLB (0.39) KMT2ATSHRALDH1A1MEN1TNKS
SCHEMBL31367991 0.74 ADORA3 (0.36) KMT2AMEN1TNKSTNKS2HPGD
SCHEMBL29294068 0.73 NLRP3 (0.47) KMT2AIRAK4TSHRALDH1A1MEN1
SCHEMBL29294075 0.73 NLRP3 (0.49) KMT2AIRAK4TSHRALDH1A1PDE3B
SCHEMBL31367967 0.72 NLRP3 (0.45) KMT2AIRAK4TSHRALDH1A1MEN1

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 KMT2A 1509/4885IRAK4 51/4885TSHR 2991/4885

“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.