SCHEMBL30782135

SCHEMBL30782135

COc1ccc(COCC23COC(C#N)(C2)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.36
▸ AGXT P21549 2/20 0.36
▸ NAAA Q02083 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ APP P05067 7/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TRPV6 Q9H1D0 1/20 0.32
▸ CYP19A1 P11511 1/20 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
SCHEMBL30782065 0.78 IDO1 (0.37) IDO1AGXTCA1CA2MAOB
SCHEMBL30782098 0.78 CA1 (0.39) IDO1AGXTCA1CA2TDP1
SCHEMBL30782113 0.77 IDO1 (0.36) IDO1AGXTCA1CA2TDP1
SCHEMBL30782083 0.77 CA1 (0.38) IDO1AGXTCA1CA2MAOB
SCHEMBL31405363 0.71 MAOB (0.39) IDO1AGXTNAAACA1CA2
SCHEMBL213722 0.68 IDO1 (0.43) IDO1AGXTCA1CA2MAOB
SCHEMBL16838791 0.67 IDO1 (0.48) IDO1AGXTCA1CA2MAOB
SCHEMBL34413 0.66 IDO1 (0.67) IDO1AGXTCA1CA2MAOB
SCHEMBL21989036 0.66 IDO1 (0.52) IDO1AGXTNAAACA1CA2
SCHEMBL21694512 0.66 CA1 (0.43) IDO1AGXTCA1CA2TDP1

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-20250221996-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-07-10 — — US disclosed
EP-4551574-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2025-05-14 — — EP disclosed
WO-2024008179-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2024-01-11 — — 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-20250221996-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH KRAS, NRAS, HRAS IDO1 4448/4885AGXT 3091/4885NAAA 3606/4885

“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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