SCHEMBL17895304

SCHEMBL17895304

CNc1nc2ccc(C(F)(F)F)cc2n2ccnc12

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.68
MAT2A P31153 4/20 0.45
PDE10A Q9Y233 3/20 0.42
PDE2A O00408 2/20 0.42
MAPK8 P45983 9/20 0.41
PDE7A Q13946 1/20 0.39

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
SCHEMBL17895234 0.90 IKBKB (0.57) IKBKBMAT2AMAPK8
SCHEMBL17895298 0.80 IKBKB (0.42) IKBKBPDE10APDE2APDE7A
SCHEMBL2816993 0.76 IKBKB (0.68) IKBKBMAPK8
SCHEMBL31746781 0.76 KMT2A (0.47) IKBKB
SCHEMBL17894990 0.75 IKBKB (0.70) IKBKBMAT2APDE10APDE2APDE7A
SCHEMBL14044179 0.75 MAPK8 (0.48) IKBKBMAPK8
SCHEMBL461561 0.75 HTR3E (0.65)
SCHEMBL17895296 0.74 IKBKB (0.54) IKBKBMAPK8
SCHEMBL2464937 0.72 HTR2C (0.56)
SCHEMBL12329839 0.72 HTR3E (0.50)

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 1832/4885MAT2A 1621/4885PDE10A 2976/4885

“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.