SCHEMBL24373309

SCHEMBL24373309

CCc1ccc2[nH]ncc2c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 15/20 0.37
ESR1 P03372 13/20 0.37
IDO1 P14902 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
TRPA1 O75762 2/20 0.35
MAP4K1 Q92918 1/20 0.34

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
SCHEMBL29478864 1.00 ESR2 (0.37) ESR2ESR1IDO1JAK2JAK1
SCHEMBL16637189 0.81 IDO1 (0.38) ESR2ESR1IDO1TRPA1
SCHEMBL21542750 0.80 IDO1 (0.37) ESR2ESR1IDO1JAK2JAK1
SCHEMBL20315160 0.78 IDO1 (0.37) ESR2ESR1IDO1TRPA1MAP4K1
SCHEMBL31624902 0.78 BRD4 (0.39) IDO1TRPA1MAP4K1
SCHEMBL14663113 0.78 TRPA1 (0.37) ESR2ESR1IDO1TRPA1
SCHEMBL15186949 0.77 LPL (0.33)
SCHEMBL28782096 0.77 AXL (0.50) ESR2ESR1IDO1TRPA1
SCHEMBL21653719 0.71 NOS1 (0.39) ESR2ESR1IDO1TRPA1
SCHEMBL25230509 0.71 TRPA1 (0.42) ESR2ESR1IDO1JAK2JAK1

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-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 US disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 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-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC ESR2 1348/4885ESR1 2484/4885IDO1 4847/4885

“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.