SCHEMBL2818148

SCHEMBL2818148

CNc1nc2ccccc2n2cc(-c3ccccc3OC)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.67
TOP2A P11388 1/20 0.49
KDM4E B2RXH2 5/20 0.47
LCK P06239 1/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE2A O00408 1/20 0.44
PDE10A Q9Y233 1/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL2820066 0.91 ADORA2A (0.56) ADORA2ATOP2AKDM4ELCKLMNA
SCHEMBL2818200 0.88 ADORA2A (0.52) ADORA2ATOP2AKDM4ELCKALDH1A1
SCHEMBL2818045 0.84 ADORA2A (0.62) ADORA2ATOP2AKDM4ELCKLMNA
SCHEMBL2817242 0.84 ADORA2A (0.71) ADORA2AKDM4ELCKLMNAHTT
SCHEMBL2816600 0.84 TOP2A (0.52) ADORA2ATOP2AKDM4ELMNAHTT
SCHEMBL2816023 0.82 ADORA2A (0.90) ADORA2APDE2APDE10AADORA1
SCHEMBL2817230 0.82 ADORA2A (0.70) ADORA2AKDM4ELMNAHTTNPSR1
SCHEMBL2820462 0.81 ADORA2A (0.67) ADORA2ATOP2AKDM4ELMNAALDH1A1
SCHEMBL2817814 0.80 TOP2A (0.48) ADORA2ATOP2AKDM4ELMNAHTT
SCHEMBL2816349 0.79 KDM4E (0.63) ADORA2ATOP2AKDM4ELMNAALDH1A1

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
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 1818/4885TOP2A 5/4885KDM4E 2878/4885

“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.