SCHEMBL27138608

SCHEMBL27138608

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.38
▸ PDE10A Q9Y233 10/20 0.35
▸ TLR4 O00206 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ HCRTR1 O43613 5/20 0.32
▸ HCRTR2 O43614 5/20 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
SCHEMBL30718776 1.00 HTR3A (0.38) HTR3APDE10ATLR4TLR9TLR8
SCHEMBL27138967 0.88 TLR4 (0.36) HTR3APDE10ATLR4TLR9TLR8
SCHEMBL27147108 0.85 HTR3A (0.40) HTR3APDE10ATLR4TLR9TLR8
SCHEMBL31413438 0.85 HTR3A (0.40) HTR3APDE10ATLR4TLR9TLR8
SCHEMBL30718801 0.84 HTR3A (0.40) HTR3APDE10ATLR4TLR9TLR8
SCHEMBL27144010 0.84 HTR3A (0.40) HTR3APDE10ATLR4TLR9TLR8
SCHEMBL30718688 0.81 HCRTR1 (0.38) HTR3APDE10ATLR4TLR9TLR8
SCHEMBL27144904 0.81 HCRTR1 (0.38) HTR3APDE10ATLR4TLR9TLR8
SCHEMBL30718823 0.81 HTR3A (0.40) HTR3APDE10ATLR4TLR9TLR8
SCHEMBL27145338 0.81 HTR3A (0.40) HTR3APDE10ATLR4TLR9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 — — US 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 HTR3A 4425/4885PDE10A 3532/4885TLR4 4332/4885

“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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