SCHEMBL19786880

SCHEMBL19786880

CNc1nc2ccc(OC(F)(F)F)cc2n2c(-c3ccc(O)c(O)c3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.43
CHUK O15111 2/20 0.40
BRD4 O60885 4/20 0.38
FYN P06241 1/20 0.37
PDE2A O00408 3/20 0.37
PDE10A Q9Y233 2/20 0.37
PDE7A Q13946 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
CDK11B P21127 1/20 0.34
CDK7 P50613 1/20 0.34
CDK13 Q14004 1/20 0.34
MAP3K19 Q56UN5 1/20 0.34
MYLK4 Q86YV6 1/20 0.34
CDK11A Q9UQ88 1/20 0.34
DHODH Q02127 1/20 0.34
PIM1 P11309 3/20 0.33
DYRK1A Q13627 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL17895079 0.92 BRD4 (0.40) IKBKBCHUKBRD4FYNPDE2A
SCHEMBL17895316 0.86 IKBKB (0.45) IKBKBCHUKFYNPDE2APDE10A
SCHEMBL19771241 0.83 IKBKB (0.63) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL17895189 0.83 IKBKB (0.47) IKBKBCHUKBRD4CDK11BCDK7
SCHEMBL22099664 0.82 IKBKB (0.43) IKBKBCHUKBRD4PDE2A
SCHEMBL17895199 0.81 IKBKB (0.46) IKBKBCHUK
SCHEMBL17895076 0.81 IKBKB (0.46) IKBKBCHUK
SCHEMBL17895070 0.80 IKBKB (0.39) IKBKBCHUKFYNPDE2APDE10A
SCHEMBL17895314 0.80 IKBKB (0.45) IKBKBCHUKPDE2ACDK11BCDK7
SCHEMBL17894989 0.78 FYN (0.40) IKBKBCHUKBRD4FYN

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 3 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
US-20180016278-A1 Imidazo[1,2-a]quinoxalines and Derivatives Thereof for the Treatment of Cancer AXLR, SATT DU LANGUEDOC ROUSSILLON (FR) 2018-01-18 US 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 (2 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 1832/4885CHUK 1133/4885BRD4 222/4885
US-20180016278-A1 Imidazo[1,2-a]quinoxalines and Derivatives Thereof for the Treatment of Cancer NQO1, NQO2, ABL1 IKBKB 1832/4885CHUK 1133/4885BRD4 222/4885

“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.