SCHEMBL17895273

SCHEMBL17895273

Nc1nc2ccccc2n2c(-c3cc(O)cc(O)c3)cnc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.45
ADORA3 P0DMS8 7/20 0.45
ADORA1 P30542 4/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
TLR7 Q9NYK1 4/20 0.39
CSNK1A1 P48729 1/20 0.38
CLK2 P49760 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL2817520 0.85 ADORA2A (0.52) ADORA2AADORA3ADORA1IKBKBCHUK
SCHEMBL17895242 0.85 ADORA2A (0.45) ADORA2AADORA3ADORA1IKBKBCHUK
SCHEMBL17895220 0.82 IKBKB (0.49) IKBKBCHUK
SCHEMBL2818159 0.82 ADORA2A (0.46) ADORA2AADORA3ADORA1TLR7
SCHEMBL17895075 0.81 ADORA2A (0.48) ADORA2AADORA3ADORA1IKBKBCHUK
SCHEMBL2820339 0.80 ADORA2A (0.52) ADORA2AADORA3ADORA1TLR7CSNK1A1
SCHEMBL2816282 0.80 ALDH1A1 (0.48) ADORA2AADORA3ADORA1TLR7
SCHEMBL2814962 0.80 ADORA2A (0.52) ADORA2AADORA3ADORA1
SCHEMBL2815156 0.80 ADORA2A (0.55) ADORA2AADORA3ADORA1IKBKBCHUK
SCHEMBL2816944 0.80 ADORA2A (0.44) ADORA2AADORA3ADORA1IKBKBCHUK

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 ADORA2A 1104/4885ADORA3 1115/4885ADORA1 1036/4885

“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.