SCHEMBL21064335

SCHEMBL21064335

CC[C@]1(C)CC(=O)c2c([nH]c(-c3ccnc(NC(=O)[C@@H]4C[C@@H]4F)c3)c2Nc2ccccc2)C1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 0.85

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
SCHEMBL17379416 0.92 BUB1 (1.00) BUB1
SCHEMBL17372542 0.92 BUB1 (1.00) BUB1
SCHEMBL17372550 0.92 BUB1 (1.00) BUB1
SCHEMBL17372545 0.92 BUB1 (1.00) BUB1
SCHEMBL17372547 0.92 BUB1 (1.00) BUB1
SCHEMBL17379414 0.92 BUB1 (1.00) BUB1
SCHEMBL18320089 0.90 BUB1 (0.87) BUB1
SCHEMBL20212644 0.90 BUB1 (0.87) BUB1
SCHEMBL20212674 0.88 BUB1 (1.00) BUB1
SCHEMBL20212588 0.88 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308629-B2 1H-pyrrol-3-amines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-06-04 — — 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 (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-10308629-B2 1H-pyrrol-3-amines PAH, ADCYAP1R1, NPPA BUB1 1697/4885

“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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