SCHEMBL23164753

SCHEMBL23164753

O=C(O)Nc1cnc(C2=CCC3(CC2)OCCO3)s1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ BTK Q06187 3/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.32
▸ F2RL3 Q96RI0 1/20 0.30

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
SCHEMBL23204566 0.84 BTK (0.34) BTKF2RL3
SCHEMBL21273294 0.76 SUV39H2 (0.33) IKBKETBK1BTKF2RL3
SCHEMBL23305873 0.76 SNCA (0.31) IKBKETBK1F2RL3
SCHEMBL23389317 0.74 CCNE1 (0.43) USP30
SCHEMBL19984740 0.74 F2RL3 (0.32) F2RL3
SCHEMBL29045759 0.72 TBK1 (0.44) IKBKETBK1BTK
SCHEMBL23164588 0.69 ALDH1A1 (0.33) IKBKETBK1
SCHEMBL19984739 0.68 — —
SCHEMBL26605652 0.68 SUV39H2 (0.33) IKBKETBK1F2RL3
SCHEMBL629668 0.67 PDPK1 (0.32) IKBKETBK1F2RL3

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-20240124489-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-18 — — US disclosed
US-20230139171-A1 SYSTEM AND METHOD FOR INSTRUCTING ONE OR MORE WEATHER DRONES SITA INFORMATION NETWORKING COMPUTING UK LIMITED (GB) 2023-05-04 — — US disclosed
WO-2021067326-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-08 — — 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-20240124489-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS TLR7, TLR1, TLR9 IKBKE 322/4885TBK1 284/4885BTK 138/4885

“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.

Send feedback