SCHEMBL22099692

SCHEMBL22099692

CC(C)(C)OC(=O)NCCNc1nc2ccccc2n2c(Br)cnc12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.69
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
OGFRL1 Q5TC84 1/20 0.51
BCHE P06276 1/20 0.48

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
SCHEMBL28455718 0.94 BRD4 (0.70) BRD4
SCHEMBL22099674 0.93 BRD4 (0.71) BRD4
SCHEMBL17895249 0.85 ALDH1A1 (0.51) BRD4
SCHEMBL17895254 0.84 BRD4 (0.50) BRD4
SCHEMBL19786796 0.81 BRD4 (0.59) BRD4OPRM1OPRD1OPRK1OGFRL1
SCHEMBL19771236 0.80 BRD4 (0.61) BRD4
SCHEMBL28466382 0.80 BRD4 (0.66) BRD4OPRM1OPRD1OPRK1OGFRL1
SCHEMBL17895274 0.79 BRD4 (0.54) BRD4
SCHEMBL22099691 0.78 BRD4 (0.43) BRD4
SCHEMBL17895228 0.78 BRD4 (0.56) 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
CN-107454900-B Novel imidazo [1,2-A ] quinoxalines and derivatives thereof for the treatment of cancer 蒙彼利埃大学 2020-08-07 CN disclosed
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

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-10689384-B2 Imidazo[1,2-a]quinoxalines and derivatives thereof for the treatment of cancer NQO1, NQO2, ABL1 BRD4 222/4885OPRM1 1268/4885OPRD1 1940/4885

“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.