SCHEMBL17753952

SCHEMBL17753952

CC1CC(C)CN(CCNC(=O)c2cn(C)c(=O)c3[nH]ccc23)C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAF1 P21675 5/20 0.57
▸ BRD9 Q9H8M2 4/20 0.57
▸ CECR2 Q9BXF3 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.46
▸ BRD4 O60885 8/20 0.46
▸ SHMT2 P34897 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ ATAD2 Q6PL18 2/20 0.42
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40

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
SCHEMBL17753988 0.88 TAF1 (0.58) TAF1BRD9CECR2ALDH1A1BRD4
SCHEMBL17754066 0.88 BRD9 (0.62) TAF1BRD9CECR2ALDH1A1BRD4
SCHEMBL17753966 0.84 BRD9 (0.64) TAF1BRD9CECR2BRD4ATAD2
SCHEMBL17753900 0.84 BRD9 (0.60) TAF1BRD9CECR2ALDH1A1BRD4
SCHEMBL17753983 0.84 BRD9 (0.66) TAF1BRD9CECR2ALDH1A1BRD4
SCHEMBL17753895 0.82 TAF1 (0.58) TAF1BRD9CECR2ALDH1A1BRD4
SCHEMBL17753985 0.81 CECR2 (0.60) TAF1BRD9CECR2ALDH1A1BRD4
SCHEMBL17748992 0.78 CECR2 (0.57) TAF1BRD9CECR2BRD4SMN1; SMN2
SCHEMBL17753997 0.78 TAF1 (0.64) TAF1BRD9CECR2ALDH1A1BRD4
SCHEMBL17753734 0.77 BRD9 (0.60) TAF1BRD9CECR2BRD4ATAD2

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 TAF1 439/4885BRD9 16/4885CECR2 184/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 TAF1 439/4885BRD9 16/4885CECR2 184/4885

“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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