SCHEMBL17753699

SCHEMBL17753699

CC(C)[C@H](NC(=O)c1cn(C)c(=O)c2[nH]ccc12)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CECR2 Q9BXF3 7/20 0.54
▸ TAF1 P21675 5/20 0.54
▸ BRD9 Q9H8M2 5/20 0.54
▸ BRD4 O60885 9/20 0.47
▸ CNR1 P21554 3/20 0.47
▸ CNR2 P34972 3/20 0.47

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
SCHEMBL17753698 0.81 CECR2 (0.51) CECR2TAF1BRD9BRD4
SCHEMBL17754062 0.81 CECR2 (0.51) CECR2TAF1BRD9BRD4
SCHEMBL17753686 0.80 BRD4 (0.52) CECR2TAF1BRD9BRD4
SCHEMBL17754023 0.79 CECR2 (0.62) CECR2TAF1BRD9BRD4
SCHEMBL19639705 0.79 CECR2 (0.54) CECR2TAF1BRD9BRD4CNR1
SCHEMBL17748995 0.79 CECR2 (0.54) CECR2TAF1BRD9BRD4CNR1
SCHEMBL17754104 0.79 CECR2 (0.54) CECR2TAF1BRD9BRD4CNR1
SCHEMBL17753898 0.78 BRD4 (0.53) CECR2TAF1BRD9BRD4
SCHEMBL17753771 0.78 CECR2 (0.55) CECR2TAF1BRD9BRD4
SCHEMBL17753665 0.77 TAF1 (0.52) CECR2TAF1BRD9BRD4

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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CECR2 184/4885TAF1 439/4885BRD9 16/4885

“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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