SCHEMBL19786872

SCHEMBL19786872

COc1ccc(-c2cnc3c(NCCCNC(=O)OC(C)(C)C)nc4ccccc4n23)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.61

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
SCHEMBL19786796 0.95 BRD4 (0.59) BRD4
SCHEMBL19771247 0.94 BRD4 (0.62) BRD4
SCHEMBL19771237 0.92 BRD4 (0.62) BRD4
SCHEMBL19771236 0.90 BRD4 (0.61) BRD4
SCHEMBL17895191 0.89 BRD4 (0.49) BRD4
SCHEMBL17895093 0.87 BRD4 (0.50) BRD4
SCHEMBL17895236 0.86 ALDH1A1 (0.44) BRD4
SCHEMBL17895201 0.84 MAOA (0.48) BRD4
SCHEMBL22099683 0.81 MAOA (0.48)
SCHEMBL28455718 0.81 BRD4 (0.70) BRD4

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-10689384-B2 Imidazo[1,2-a]quinoxalines and derivatives thereof for the treatment of cancer UNIVERSITE DE MONTPELLIER (FR) 2020-06-23 US disclosed
US-20180016278-A1 Imidazo[1,2-a]quinoxalines and Derivatives Thereof for the Treatment of Cancer AXLR, SATT DU LANGUEDOC ROUSSILLON (FR) 2018-01-18 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-10689384-B2 Imidazo[1,2-a]quinoxalines and derivatives thereof for the treatment of cancer NQO1, NQO2, ABL1 BRD4 222/4885
US-20180016278-A1 Imidazo[1,2-a]quinoxalines and Derivatives Thereof for the Treatment of Cancer NQO1, NQO2, ABL1 BRD4 222/4885

“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.