SCHEMBL17895296

SCHEMBL17895296

CNc1nc2cc(OC(F)(F)F)ccc2n2ccnc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.54
BRD4 O60885 4/20 0.44
IDH1 O75874 3/20 0.40
CHUK O15111 1/20 0.39
MAPK8 P45983 6/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
CYP2D6 P10635 1/20 0.37
BRAF P15056 2/20 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
SCHEMBL31746812 0.86 IDH1 (0.48) BRD4IDH1BRAF
SCHEMBL3496028 0.82 BRD4 (0.52) BRD4MAPK8
SCHEMBL17895234 0.81 IKBKB (0.57) IKBKBMAPK8HTR3EHTR3BHTR3A
SCHEMBL3497122 0.81 HTR3E (0.38) BRD4IDH1HTR3EHTR3BHTR3A
SCHEMBL31746848 0.79 HTR3E (0.44) IDH1HTR3EHTR3BHTR3AHTR3D
SCHEMBL31746633 0.78 IDH1 (0.46) IDH1BRAF
SCHEMBL31746726 0.78 ABL1 (0.43) IDH1KDM4EBRAF
SCHEMBL31746824 0.78 ABL1 (0.43) IDH1BRAF
SCHEMBL17895265 0.78 IKBKB (0.57) IKBKBBRD4IDH1CHUKBRAF
SCHEMBL31746664 0.77 IKBKB (0.46) IKBKBIDH1

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 IKBKB 1832/4885BRD4 222/4885IDH1 7/4885

“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.