SCHEMBL2816600

SCHEMBL2816600

CNc1nc2ccccc2n2cc(-c3ccccc3O)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.52
ADORA2A P29274 7/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NPY1R P25929 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPY2R P49146 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR2C P28335 1/20 0.43
GAA P10253 3/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL2817814 0.93 TOP2A (0.48) TOP2AADORA2AKDM4EMAPTLMNA
SCHEMBL2818999 0.89 TOP2A (0.49) TOP2AADORA2AKDM4EMAPTLMNA
SCHEMBL2818148 0.84 ADORA2A (0.67) TOP2AADORA2AKDM4EMAPTLMNA
SCHEMBL2817799 0.83 ADORA2A (0.63) TOP2AADORA2AKDM4EMAPTLMNA
SCHEMBL2816349 0.82 KDM4E (0.63) TOP2AADORA2AKDM4ELMNAALDH1A1
SCHEMBL2819623 0.82 ADORA2A (0.41) TOP2AADORA2AKDM4EMAPTLMNA
SCHEMBL2817781 0.80 ADORA2A (0.48) TOP2AADORA2AKDM4ELMNAALDH1A1
SCHEMBL2820066 0.80 ADORA2A (0.56) TOP2AADORA2AKDM4EMAPTLMNA
SCHEMBL2818350 0.80 ADORA2A (0.45) ADORA2AKDM4EMAPTLMNAALDH1A1
SCHEMBL2816630 0.79 ADORA2A (0.54) ADORA2AKDM4EMAPTLMNAALDH1A1

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 TOP2A 5/4885ADORA2A 1818/4885KDM4E 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.