SCHEMBL23733972

SCHEMBL23733972

COC(=O)N1c2ccc(-c3cnn(CC4CNCC5(CCCCCCCCC5)N4)c3)cc2N(C(=O)OC(C)C)C[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 14/20 0.42
▸ CREBBP Q92793 7/20 0.33
▸ IDH1 O75874 1/20 0.31
▸ TTK P33981 2/20 0.30

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
SCHEMBL21674830 0.85 BRD4 (0.46) BRD4CREBBPIDH1
SCHEMBL17018249 0.82 BRD4 (0.49) BRD4CREBBPTTK
SCHEMBL17018120 0.81 BRD4 (0.51) BRD4CREBBPTTK
SCHEMBL17018282 0.81 BRD4 (0.46) BRD4CREBBP
SCHEMBL17018283 0.81 BRD4 (0.46) BRD4CREBBP
SCHEMBL21249959 0.81 BRD4 (0.47) BRD4CREBBP
SCHEMBL17018259 0.80 BRD4 (0.49) BRD4TTK
SCHEMBL17018118 0.80 BRD4 (0.52) BRD4CREBBPIDH1
SCHEMBL16722066 0.79 BRD4 (0.51) BRD4CREBBPIDH1
SCHEMBL17018258 0.79 BRD4 (0.47) BRD4CREBBPTTK

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-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2021-08-10 — — 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-11084831-B1 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885CREBBP 28/4885IDH1 1674/4885

“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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