SCHEMBL23569558

SCHEMBL23569558

CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](Nc2ccccc2C(F)(F)F)C[C@H](C)N3C(C)O)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 17/20 0.50
▸ BRD2 P25440 17/20 0.50
▸ BRD3 Q15059 16/20 0.48
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NQO2 P16083 1/20 0.37

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
SCHEMBL20288826 0.87 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL23569560 0.82 BRD4 (0.53) BRD4BRD2BRD3
SCHEMBL23467447 0.82 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL23467444 0.81 BRD4 (0.64) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL23467420 0.81 BRD4 (0.54) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL23467402 0.81 BRD4 (0.59) BRD4BRD2BRD3
SCHEMBL23467443 0.79 BRD4 (0.50) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL23467469 0.79 BRD4 (0.61) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL23569933 0.79 BRD4 (0.57) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL23569751 0.77 BRD4 (0.53) BRD4BRD2BRD3

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-11787768-B2 Tetrahydroquinoline-based bromodomain inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-10-17 — — US disclosed
US-20210188777-A1 TETRAHYDROQUINOLINE-BASED BROMODOMAIN INHIBITORS ST JUDE CHILDRENS RES HOSPITAL (US) 2021-06-24 — — 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-20210188777-A1 TETRAHYDROQUINOLINE-BASED BROMODOMAIN INHIBITORS BRDT, BRD4, BRD3 BRD4 2/4885BRD2 4/4885BRD3 3/4885
US-11787768-B2 Tetrahydroquinoline-based bromodomain inhibitors BRDT, BRD4, BRD3 BRD4 2/4885BRD2 4/4885BRD3 3/4885

“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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