SCHEMBL2818159

SCHEMBL2818159

Nc1nc2ccccc2n2c(-c3ccc(O)cc3O)cnc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.46
ADORA3 P0DMS8 5/20 0.46
PDE2A O00408 2/20 0.41
PDE10A Q9Y233 2/20 0.41
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA1 P30542 3/20 0.39
TLR7 Q9NYK1 3/20 0.38
PLA2G10 O15496 1/20 0.38
MGAM O43451 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38
PLA2G12A Q9BZM1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TYR P14679 1/20 0.37

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
SCHEMBL2819796 0.82 ADORA2A (0.41) ADORA2AADORA3ADORA1TLR7
SCHEMBL17895273 0.82 ADORA2A (0.45) ADORA2AADORA3ADORA1TLR7
SCHEMBL2820446 0.82 IKBKB (0.46) PDE2APDE10AKMT2AKDM4EMAPT
SCHEMBL17895242 0.80 ADORA2A (0.45) ADORA2AADORA3ADORA1TLR7
SCHEMBL2816313 0.80 IKBKB (0.48) KMT2A
SCHEMBL2817520 0.77 ADORA2A (0.52) ADORA2AADORA3KMT2AADORA1TLR7
SCHEMBL2814411 0.76 MAPT (0.40) ADORA3PDE2APDE10AGFERKMT2A
SCHEMBL2817495 0.75 ADORA2A (0.47) ADORA2AADORA3PDE2APDE10AGFER
SCHEMBL2819611 0.75 ADORA2A (0.55) ADORA2AADORA3PDE2APDE10AADORA1
SCHEMBL2814363 0.74 ADORA2A (0.64) ADORA2AADORA1

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 5 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
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 2351/4885PDE2A 1129/4885

“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.