SCHEMBL23945236

SCHEMBL23945236

O=C(Nc1cnn(C2CCC(BC3CCCCCCCCC3)CC2)c1)C1CCCC(C2CCCCCCC2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
TBK1 Q9UHD2 4/20 0.42
TAS2R8 Q9NYW2 1/20 0.41
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
PTPN1 P18031 3/20 0.39
HPGD P15428 2/20 0.39
CLK2 P49760 4/20 0.38
LRRK2 Q5S007 4/20 0.38
ALDH1A1 P00352 2/20 0.38
PTPN2 P17706 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL23945349 0.82 OGA (0.46) TBK1WNT1GSK3BDYRK1AHPGD
SCHEMBL23945144 0.82 OGA (0.46) TBK1WNT1GSK3BDYRK1AHPGD
SCHEMBL4291220 0.71 HTT (0.55) HTTTAS2R8PTPN1HPGDALDH1A1
SCHEMBL30627017 0.70 HPGD (0.56) WNT1GSK3BDYRK1AHPGDALDH1A1
SCHEMBL4285440 0.69 OGA (0.53) HTTTBK1GSK3BDYRK1AHPGD
SCHEMBL29757925 0.69 ACHE (0.49) TBK1CLK2LRRK2
SCHEMBL26790003 0.66 CLK2 (0.50) HTTTBK1HPGDCLK2LRRK2
SCHEMBL26151737 0.66 CLK2 (0.50) HTTTBK1CLK2LRRK2KMT2A
SCHEMBL25730750 0.65 HPGD (0.87) PTPN1HPGDALDH1A1MEN1KMT2A
SCHEMBL26790000 0.65 ALDH1A1 (0.48) HTTTBK1GSK3BDYRK1AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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 (2 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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 HTT 2464/4885TBK1 9/4885TAS2R8 3486/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTT 2464/4885TBK1 9/4885TAS2R8 3486/4885

“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.