SCHEMBL17753859

SCHEMBL17753859

CCN(CC)C1CCN(C(=O)c2cn(C)c(=O)c3[nH]ccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.60
▸ CECR2 Q9BXF3 7/20 0.60
▸ TAF1 P21675 6/20 0.60
▸ BRD9 Q9H8M2 6/20 0.56
▸ ATAD2 Q6PL18 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL17753986 0.88 BRD4 (0.66) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753943 0.84 TAF1 (0.58) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753000 0.84 BRD4 (0.60) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753941 0.84 BRD4 (0.61) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753865 0.84 BRD4 (0.64) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753872 0.84 TAF1 (0.55) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753864 0.82 BRD4 (0.58) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17752996 0.81 TAF1 (0.55) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753007 0.81 TAF1 (0.55) BRD4CECR2TAF1BRD9ATAD2
SCHEMBL17753853 0.81 BRD4 (0.55) BRD4CECR2TAF1BRD9ATAD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
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 (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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 BRD4 1/4885CECR2 184/4885TAF1 439/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 BRD4 1/4885CECR2 184/4885TAF1 439/4885

“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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