SCHEMBL21531940

SCHEMBL21531940

COCCn1cc(-c2ccc3c(c2)N(C(=O)c2ccco2)C[C@H](C)N3C(C)O)cn1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.58
▸ IDH1 O75874 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ TTK P33981 1/20 0.36
▸ USP1 O94782 2/20 0.36
▸ CTSK P43235 2/20 0.35
▸ CTSC P53634 2/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL16722078 0.87 BRD4 (0.77) BRD4IDH1USP30TTKIKBKE
SCHEMBL16721306 0.87 BRD4 (0.77) BRD4IDH1USP30TTKIKBKE
SCHEMBL21531929 0.84 BRD4 (0.45) BRD4IDH1USP30TTKCTSK
SCHEMBL16722203 0.78 BRD4 (0.81) BRD4
SCHEMBL16722186 0.76 BRD4 (0.66) BRD4
SCHEMBL16722140 0.75 BRD4 (0.78) BRD4
SCHEMBL16722301 0.74 BRD4 (1.00) BRD4
SCHEMBL16721797 0.74 BRD4 (1.00) BRD4
SCHEMBL16722502 0.73 BRD4 (0.47) BRD4IDH1USP30TTKCTSK
SCHEMBL16721938 0.72 BRD4 (0.60) BRD4IDH1USP30TTKCTSK

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-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2020-07-07 — — US disclosed
US-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2019-10-31 — — 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 (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-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885IDH1 1674/4885USP30 1456/4885
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885IDH1 1674/4885USP30 1456/4885

“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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