SCHEMBL17895298

SCHEMBL17895298

FC(F)(F)c1ccc2nc(Cl)c3nccn3c2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.42
PDE2A O00408 11/20 0.42
PDE10A Q9Y233 7/20 0.42
CYP11B2 P19099 2/20 0.39
PDE7A Q13946 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
PKM P14618 1/20 0.36

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
SCHEMBL3498276 0.89 KDM4E (0.42) PDE2APDE10ACYP1A2CYP2D6CYP2C19
SCHEMBL121472 0.81 HTR3E (0.45) IKBKBPDE2APDE10ACYP11B2CYP11B1
SCHEMBL8102963 0.81 CUL4A (0.51) IKBKBPDE2APDE10ACYP1A2CYP2C9
SCHEMBL17895304 0.80 IKBKB (0.68) IKBKBPDE2APDE10APDE7A
SCHEMBL24832295 0.78 IKBKB (0.45) IKBKBPDE2APDE10ACYP1A2CYP2C19
SCHEMBL13077027 0.78 IKBKB (0.66) IKBKB
SCHEMBL25824093 0.78 IKBKB (0.45) IKBKB
SCHEMBL30973203 0.78 IKBKB (0.45) IKBKB
SCHEMBL12329839 0.78 HTR3E (0.50) CYP1A2CYP2D6CYP2C19
SCHEMBL3495003 0.76 RPS6KA5 (0.33) IKBKB

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 1832/4885PDE2A 1534/4885PDE10A 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.