SCHEMBL20233999

SCHEMBL20233999

CC(=O)NCC1CC(=O)c2c([nH]c(-c3ccnc(NC(C)=O)c3)c2Nc2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 1.00

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
SCHEMBL20212612 1.00 BUB1 (1.00) BUB1
SCHEMBL21894424 0.93 BUB1 (0.88) BUB1
SCHEMBL18481892 0.92 BUB1 (1.00) BUB1
SCHEMBL17372058 0.92 BUB1 (1.00) BUB1
SCHEMBL17372130 0.91 BUB1 (1.00) BUB1
SCHEMBL17371929 0.91 BUB1 (1.00) BUB1
SCHEMBL18320123 0.91 BUB1 (1.00) BUB1
SCHEMBL18329925 0.90 BUB1 (0.82) BUB1
SCHEMBL18321030 0.90 BUB1 (1.00) BUB1
SCHEMBL20233877 0.88 BUB1 (0.88) BUB1

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
EP-3310775-B1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma AG (DE) 2020-04-01 — — EP claimed
US-10227299-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-03-12 — — US disclosed
US-20180155285-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-07 — — 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 (2 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-10227299-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones MYC, HCCS, MCL1 BUB1 514/4885
US-20180155285-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES HCCS, MCL1, MKI67 BUB1 663/4885

“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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