SCHEMBL27138967

SCHEMBL27138967

O=Cc1ccc2nc(N3C[C@@H]4C5CCC(O5)[C@@H]4C3)ncc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ PDE10A Q9Y233 5/20 0.35
▸ HCRTR1 O43613 6/20 0.34
▸ HCRTR2 O43614 6/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ CHRM2 P08172 1/20 0.33

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
SCHEMBL27138608 0.88 HTR3A (0.38) TLR4TLR9TLR8TLR7HTR3A
SCHEMBL30718776 0.88 HTR3A (0.38) TLR4TLR9TLR8TLR7HTR3A
SCHEMBL27139923 0.85 MTOR (0.39) TLR4TLR9TLR8TLR7HTR3A
SCHEMBL27148782 0.84 HTR3A (0.38) TLR4TLR9TLR8TLR7HTR3A
SCHEMBL30718688 0.81 HCRTR1 (0.38) TLR4TLR9TLR8TLR7HTR3A
SCHEMBL27144904 0.81 HCRTR1 (0.38) TLR4TLR9TLR8TLR7HTR3A
SCHEMBL27138918 0.81 HCRTR2 (0.41) TLR4TLR9TLR8TLR7HTR3A
SCHEMBL27140311 0.77 HTR3A (0.48) TLR4TLR9TLR8TLR7HTR3A
SCHEMBL27140019 0.77 HTR3A (0.48) TLR4TLR9TLR8TLR7HTR3A
SCHEMBL27150041 0.76 ALDH3A1 (0.49) HTR3ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 — — EP disclosed
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 — — CN disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 — — US disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 — — 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-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 TLR4 4332/4885TLR9 4609/4885TLR8 3951/4885

“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.

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