SCHEMBL23979717

SCHEMBL23979717

COc1ccc2[nH]ncc2c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
TLR8 Q9NR97 4/20 0.40
TLR7 Q9NYK1 3/20 0.40
TLR9 Q9NR96 1/20 0.40
MAP4K1 Q92918 2/20 0.39
AXL P30530 2/20 0.38
IDO1 P14902 1/20 0.38
METAP2 P50579 3/20 0.37
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CHUK O15111 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 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
SCHEMBL5401834 0.79 P4HB (0.48) TLR8TLR7TLR9AXLIDO1
SCHEMBL3537413 0.77 BRD4 (0.48) BRD4TLR8AXLIDO1METAP2
SCHEMBL16746127 0.77 TRPA1 (0.42) TLR8TLR7TLR9AXLIDO1
SCHEMBL12110234 0.77 METAP2 (0.46) TLR8TLR7TLR9AXLIDO1
SCHEMBL5425478 0.76 FEN1 (0.34) TLR8TLR7TLR9MAP4K1AXL
SCHEMBL5409734 0.76 FEN1 (0.34) TLR8TLR7TLR9MAP4K1AXL
SCHEMBL5409728 0.76 FEN1 (0.34) TLR8TLR7TLR9MAP4K1AXL
SCHEMBL30861139 0.76 CSNK2A1 (0.48) BRD4TLR8AXLIDO1METAP2
SCHEMBL12110230 0.76 IDO1 (0.40) TLR8TLR7TLR9AXLIDO1
SCHEMBL19115814 0.76 NOS1 (0.50) TLR8TLR7TLR9AXLIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
WO-2021219072-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 (CN) 2021-11-04 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-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS BRD4 882/4885TLR8 4688/4885TLR7 4488/4885

“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.