SCHEMBL18739104

SCHEMBL18739104

O=C1CCCc2[nH]c(-c3ccnc(NC(=O)C4C[C@@H]4F)c3)c(Nc3ccccc3)c21

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
SCHEMBL18695324 1.00 BUB1 (1.00) BUB1
SCHEMBL18695329 1.00 BUB1 (1.00) BUB1
SCHEMBL18739463 1.00 BUB1 (1.00) BUB1
SCHEMBL17372164 1.00 BUB1 (1.00) BUB1
SCHEMBL17372126 1.00 BUB1 (1.00) BUB1
SCHEMBL17372137 0.91 BUB1 (1.00) BUB1
SCHEMBL17372224 0.91 BUB1 (1.00) BUB1
SCHEMBL18695317 0.91 BUB1 (1.00) BUB1
SCHEMBL17371815 0.90 BUB1 (1.00) BUB1
SCHEMBL18695323 0.90 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428044-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-01 — — US disclosed
US-20170101391-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 — — 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-20170101391-A1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BUB1, BUB1B, AURKB BUB1 1/4885
US-10428044-B2 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones BUB1, BUB1B, AURKB BUB1 1/4885

“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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