SCHEMBL17895299

SCHEMBL17895299

O=C(O)NCCNc1nc2ccccc2n2ccnc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.69
BRD4 O60885 7/20 0.47
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
IKBKB O14920 1/20 0.43
TOP2A P11388 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL17895250 0.93 MAPK8 (0.66) MAPK8BRD4TOP2A
SCHEMBL17895204 0.92 MAPK8 (0.65) MAPK8BRD4
SCHEMBL22099666 0.84 MAPK8 (0.69) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL28466382 0.84 BRD4 (0.66) MAPK8BRD4
SCHEMBL8118265 0.84 MAPK8 (0.73) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL8103067 0.81 MAPK8 (0.73) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11500648 0.78 MAPK8 (0.68) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL28463722 0.78 BRD4 (0.67) MAPK8BRD4
SCHEMBL28459026 0.77 BRD4 (0.68) MAPK8BRD4
SCHEMBL17895254 0.77 BRD4 (0.50) BRD4IKBKBMEN1KMT2ARXFP1

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 MAPK8 1826/4885BRD4 222/4885HTR3E 3553/4885

“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.