SCHEMBL31367978

SCHEMBL31367978

O=c1[nH]c(N2CCOCC2)nc2nn(-c3c(F)cc(C4CC4)cc3C(F)(F)F)nc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.38
PDE3A Q14432 5/20 0.38
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
IRAK4 Q9NWZ3 5/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SCD O00767 1/20 0.33
KMT2A Q03164 2/20 0.33
PDE2A O00408 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AKT1 P31749 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
SCHEMBL31367969 0.87 KMT2A (0.36) PDE3BPDE3AIRAK4KMT2ATSHR
SCHEMBL31367971 0.87 KMT2A (0.38) PDE3BPDE3AIRAK4KMT2ATSHR
SCHEMBL29295115 0.83 NLRP3 (0.40) PDE3BPDE3APIK3R1PIK3CAIRAK4
SCHEMBL31367976 0.82 KMT2A (0.41) IRAK4KMT2ATSHRALDH1A1MEN1
SCHEMBL31367997 0.79 PDE3B (0.38) PDE3BPDE3APIK3R1PIK3CAIRAK4
SCHEMBL31367983 0.76 SCD (0.37) PDE3BPDE3AHTR2AHTR2CHTR2B
SCHEMBL29294901 0.76 NLRP3 (0.45) PDE3BPDE3APIK3R1PIK3CAIRAK4
SCHEMBL31367998 0.75 POLB (0.39) KMT2ATSHRALDH1A1MEN1
SCHEMBL31367991 0.73 ADORA3 (0.36) KMT2APDE2AMEN1
SCHEMBL29294075 0.72 NLRP3 (0.49) PDE3BPDE3AIRAK4KMT2ATSHR

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 PDE3B 428/4885PDE3A 354/4885PIK3R1 1704/4885

“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.