SCHEMBL2816944

SCHEMBL2816944

Nc1nc2ccccc2n2c(-c3cccc(Cl)c3)cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.44
ADORA3 P0DMS8 5/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
DHFR P00374 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA1 P30542 4/20 0.40
BACE1 P56817 1/20 0.40
DYRK3 O43781 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40

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
SCHEMBL2814962 0.86 ADORA2A (0.52) ADORA2AADORA3MEN1NPC1RAB9A
SCHEMBL2817520 0.85 ADORA2A (0.52) ADORA2AADORA3IKBKBCHUKMEN1
SCHEMBL2815156 0.85 ADORA2A (0.55) ADORA2AADORA3IKBKBCHUKADORA1
SCHEMBL2817247 0.85 ADORA2A (0.52) ADORA2AADORA3IKBKBCHUKADORA1
SCHEMBL2817184 0.83 ADORA2A (0.45) ADORA2AIKBKBCHUKDHFRADORA1
SCHEMBL2816218 0.82 IKBKB (0.47) IKBKBCHUKBACE1DYRK3CCNT1
SCHEMBL2816236 0.82 ADORA2A (0.57) ADORA2AADORA3IKBKBCHUKADORA1
SCHEMBL2816841 0.81 ATR (0.43) ADORA2AADORA3IKBKBCHUKMEN1
SCHEMBL2820342 0.80 NPC1 (0.49) ADORA2AMEN1NPC1RAB9AKMT2A
SCHEMBL2818431 0.80 ADORA2A (0.50) ADORA2AADORA3IKBKBCHUKDHFR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205602-B1 IMIDAZO[1,2-A]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIV MONTPELLIER (FR) 2018-09-26 EP claimed
US-8378098-B2 Imidazol[1,2-α]quinoxalines and derivatives for the treatment of cancers UNIVERSITE DE MONTPELLIER I (FR) 2013-02-19 US claimed
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 US claimed
EP-2205602-B1 IMIDAZO[1,2-A]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIV MONTPELLIER (FR) 2018-09-26 EP disclosed
US-8378098-B2 Imidazol[1,2-α]quinoxalines and derivatives for the treatment of cancers UNIVERSITE DE MONTPELLIER I (FR) 2013-02-19 US disclosed
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 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 (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-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS IDH3A, NRAS, KRAS ADORA2A 1818/4885ADORA3 2351/4885IKBKB 855/4885

“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.