SCHEMBL18986725

SCHEMBL18986725

O=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CN(C(=O)O)C3)ccn1)c1cnn[nH]1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 0.60

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
SCHEMBL18986936 0.90 BUB1 (0.62) BUB1
SCHEMBL17372032 0.87 BUB1 (0.80) BUB1
SCHEMBL18986782 0.87 BUB1 (0.62) BUB1
SCHEMBL18986445 0.86 BUB1 (0.75) BUB1
SCHEMBL22189891 0.86 BUB1 (0.73) BUB1
SCHEMBL22189897 0.84 BUB1 (0.76) BUB1
SCHEMBL18986252 0.84 BUB1 (0.63) BUB1
SCHEMBL22189915 0.84 BUB1 (0.62) BUB1
SCHEMBL22189900 0.82 BUB1 (0.75) BUB1
SCHEMBL18986705 0.82 BUB1 (0.75) 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
US-20200216439-A1 HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-07-09 — — US claimed
US-20200216439-A1 HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-07-09 — — US disclosed
EP-3390401-A1 HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma Aktiengesellschaft (DE) 2018-10-24 — — EP disclosed
WO-2017102649-A1 HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 — — 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-20200216439-A1 HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES CYP2D6, CYP1B1, CYP3A4 BUB1 2906/4885

“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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