SCHEMBL2815320

SCHEMBL2815320

CNc1nc2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.67
MBD2 Q9UBB5 1/20 0.56
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.50
PKM P14618 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TOP2A P11388 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA1 P30542 2/20 0.46
NPC1 O15118 2/20 0.44
MEN1 O00255 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
SCHEMBL2815451 0.88 ADORA2A (0.52) ADORA2AALDH1A1RAB9APKMMAPT
SCHEMBL2816349 0.84 KDM4E (0.63) ADORA2AALDH1A1TOP2AKDM4ELMNA
SCHEMBL2815196 0.84 ADORA2A (0.64) ADORA2AMBD2ALDH1A1RAB9APKM
SCHEMBL2820477 0.82 ADORA2A (0.91) ADORA2AMBD2ALDH1A1RAB9APKM
SCHEMBL2817799 0.82 ADORA2A (0.63) ADORA2AALDH1A1MAPTTOP2AKDM4E
SCHEMBL2816214 0.82 ADORA2A (0.63) ADORA2AALDH1A1RAB9APKMRXFP1
SCHEMBL2815840 0.82 ADORA2A (0.63) ADORA2AALDH1A1TOP2AKDM4ELMNA
SCHEMBL2820944 0.82 KDM4E (0.51) ADORA2AALDH1A1RAB9ATOP2AKDM4E
SCHEMBL2818596 0.81 ADORA2A (0.50) ADORA2AALDH1A1TOP2AKDM4ELMNA
SCHEMBL2820462 0.80 ADORA2A (0.67) ADORA2AALDH1A1RAB9AMAPTTOP2A

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 3 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 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 1818/4885MBD2 4270/4885ALDH1A1 657/4885

“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.