SCHEMBL2819611

SCHEMBL2819611

COc1ccccc1-c1cnc2c(N)nc3ccccc3n12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.55
PDE2A O00408 1/20 0.51
PDE10A Q9Y233 1/20 0.51
ADORA3 P0DMS8 3/20 0.44
ADORA1 P30542 2/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 2/20 0.40
TLR8 Q9NR97 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR7 Q9NYK1 3/20 0.40
JAK2 O60674 1/20 0.40
AKT1 P31749 1/20 0.39
RPS6KB1 P23443 1/20 0.39
ROCK1 Q13464 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
SCHEMBL2816480 0.91 ADORA2A (0.48) ADORA2APDE2APDE10AADORA3ADORA1
SCHEMBL2817495 0.87 ADORA2A (0.47) ADORA2APDE2APDE10AADORA3ADORA1
SCHEMBL2820672 0.86 PDE2A (0.52) ADORA2APDE2APDE10AADORA1LMNA
SCHEMBL2818894 0.85 PDE2A (0.51) ADORA2APDE2APDE10ALMNAKDM4E
SCHEMBL2813904 0.83 PDE2A (0.49) ADORA2APDE2APDE10ALMNAKDM4E
SCHEMBL17894983 0.82 MEN1 (0.51) PDE10AADORA1KDM4EALDH1A1RAB9A
SCHEMBL2817439 0.80 ADORA2A (0.55) ADORA2AADORA3ADORA1LMNAKDM4E
SCHEMBL2817052 0.80 IKBKB (0.59) ADORA2APDE2APDE10AKDM4ENPSR1
SCHEMBL17895075 0.79 ADORA2A (0.48) ADORA2AADORA3ADORA1KDM4EALDH1A1
SCHEMBL2819796 0.78 ADORA2A (0.41) ADORA2AADORA3ADORA1TLR7

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 1818/4885PDE2A 1129/4885PDE10A 2521/4885

“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.