SCHEMBL20226418

SCHEMBL20226418

CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(C)(C(=O)N2CCN(C)CC2)C3)ccn1

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
SCHEMBL18320348 1.00 BUB1 (1.00) BUB1
SCHEMBL20233972 0.92 BUB1 (0.84) BUB1
SCHEMBL18320380 0.90 BUB1 (1.00) BUB1
SCHEMBL18320258 0.89 BUB1 (1.00) BUB1
SCHEMBL18320382 0.89 BUB1 (1.00) BUB1
SCHEMBL20233916 0.89 BUB1 (1.00) BUB1
SCHEMBL18319970 0.89 BUB1 (1.00) BUB1
SCHEMBL18320333 0.88 BUB1 (1.00) BUB1
SCHEMBL20212610 0.88 BUB1 (1.00) BUB1
SCHEMBL20212649 0.87 BUB1 (1.00) 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 4 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
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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