SCHEMBL30860940

SCHEMBL30860940

COc1c(NC(=O)OC(C)(C)C)ccc2cnn(C3CCCCO3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
ATR Q13535 4/20 0.36
PDE4B Q07343 2/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
TP53 P04637 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
DGAT1 O75907 1/20 0.33
EGFR P00533 1/20 0.32
CCR2 P41597 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
SCHEMBL27228051 0.87 RXRA (0.42) RXRARXRBRXRGATRCYP4F2
SCHEMBL25753440 0.85 GSK3B (0.38) PDE4BGSK3BDYRK1ATP53BRD4
SCHEMBL30895047 0.84 MAPK1 (0.39) ATRGSK3BDYRK1ABRD4LMNA
SCHEMBL25753091 0.84 MAPK1 (0.39) ATRGSK3BDYRK1ABRD4LMNA
SCHEMBL30860878 0.83 ATR (0.37) RXRARXRBRXRGATRPDE4B
SCHEMBL30860896 0.80 CYP4F2 (0.39) RXRARXRBRXRGATRCYP4F2
SCHEMBL30860795 0.80 CYP4F2 (0.38) RXRARXRBRXRGATRCYP4F2
SCHEMBL30895121 0.78 GSK3B (0.36) GSK3BDYRK1ATP53OPRM1OPRD1
SCHEMBL30860930 0.78 GSK3B (0.40) ATRGSK3BDYRK1AEGFR
SCHEMBL25756633 0.78 GSK3B (0.40) ATRGSK3BDYRK1AEGFR

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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO 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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 RXRA 4745/4885RXRB 4668/4885RXRG 4700/4885

“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.