SCHEMBL31367965

SCHEMBL31367965

CCN1CCN(c2nc3nn(-c4ccc(C5CC5)cc4C(F)(F)F)nc3c(=O)[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TNKS2 Q9H2K2 4/20 0.35
TNKS O95271 3/20 0.35
PARP1 P09874 3/20 0.35
SCD O00767 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PTPN11 Q06124 1/20 0.34
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
HSD11B1 P28845 1/20 0.33
WEE1 P30291 1/20 0.32
ALK Q9UM73 1/20 0.32
PTK2 Q05397 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 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
SCHEMBL31367983 0.89 SCD (0.37) SCDPTPN11MEN1KMT2APDE3B
SCHEMBL31368005 0.79 POLB (0.36) POLBTNKS2TNKSPARP1SCD
SCHEMBL31367986 0.79 POLB (0.43) POLBTNKS2TNKSPARP1TLR9
SCHEMBL31367998 0.77 POLB (0.39) POLBTNKS2TNKSPARP1TLR9
SCHEMBL31368003 0.75 HCAR1 (0.40) TNKS2TNKSPARP1SCDPTPN11
SCHEMBL31367978 0.72 PDE3B (0.38) SCDMEN1TSHRKMT2APDE3B
SCHEMBL29294905 0.70 PDE3B (0.39) SCDKMT2AFLT3PDE3BPDE3A
SCHEMBL31367991 0.68 ADORA3 (0.36) TNKS2TNKSMEN1MAPK1KMT2A
SCHEMBL31368033 0.67 PDE2A (0.35) TNKS2TNKSPARP1SCDMEN1
SCHEMBL31367976 0.66 KMT2A (0.41) MEN1TSHRMAPK1KMT2AGAA

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 POLB 4713/4885TNKS2 1381/4885TNKS 825/4885

“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.