SCHEMBL17895172

SCHEMBL17895172

[CH2]C([CH2])(COC(C)=O)NC(=O)CNc1nc2ccccc2n2c(Br)cnc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
BRD4 O60885 14/20 0.37
IKBKB O14920 1/20 0.37
TP53 P04637 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL17894988 0.82 MAPK8 (0.49) ALDH1A1BRD4IKBKB
SCHEMBL22099672 0.79 ALDH1A1 (0.47) ALDH1A1BRD4IKBKBADORA3ADORA1
SCHEMBL17895249 0.77 ALDH1A1 (0.51) ALDH1A1BRD4IKBKBLCK
SCHEMBL22099692 0.71 BRD4 (0.69) BRD4
SCHEMBL17895254 0.70 BRD4 (0.50) BRD4IKBKBADORA1
SCHEMBL121917 0.70 KMT2A (0.49) BRD4IKBKBADORA3LCK
SCHEMBL22099691 0.69 BRD4 (0.43) BRD4IKBKBADORA1
SCHEMBL22099674 0.69 BRD4 (0.71) BRD4
SCHEMBL17895274 0.69 BRD4 (0.54) BRD4
SCHEMBL2819718 0.69 IKBKB (0.69) IKBKBTP53LCK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240789-B1 NEW IMIDAZO[1,2-A]QUINOXALINES AND DERIVATES THEREOF FOR THE TREATMENT OF CANCER UNIV MONTPELLIER (FR) 2020-07-29 EP 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
EP-3240789-A1 NEW IMIDAZO[1,2-A]QUINOXALINES AND DERIVATES THEREOF FOR THE TREATMENT OF CANCER Université de Montpellier (FR) 2017-11-08 EP disclosed
WO-2016107895-A1 NEW IMIDAZO[1,2-A]QUINOXALINES AND DERIVATES THEREOF FOR THE TREATMENT OF CANCER UNIVERSITE DE MONTPELLIER (FR) 2016-07-07 WO 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 ALDH1A1 163/4885BRD4 222/4885IKBKB 1832/4885

“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.