SCHEMBL2818596

SCHEMBL2818596

CNc1nc2ccccc2n2cc(-c3ccc(C(=O)O)cc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TOP2A P11388 1/20 0.47
ADORA1 P30542 2/20 0.46
TNKS O95271 1/20 0.44
PIN1 Q13526 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL2815073 0.89 ADORA2A (0.51) ADORA2AKDM4EALDH1A1LMNAGLA
SCHEMBL2816349 0.88 KDM4E (0.63) ADORA2AKDM4EALDH1A1LMNAGLA
SCHEMBL2817799 0.85 ADORA2A (0.63) ADORA2AKDM4EALDH1A1LMNAGLA
SCHEMBL2819810 0.84 ADORA2A (0.46) ADORA2AKDM4EALDH1A1LMNAGLA
SCHEMBL2820944 0.83 KDM4E (0.51) ADORA2AKDM4EALDH1A1LMNAGLA
SCHEMBL2816214 0.83 ADORA2A (0.63) ADORA2AKDM4EALDH1A1LMNAGLA
SCHEMBL2815840 0.83 ADORA2A (0.63) ADORA2AKDM4EALDH1A1LMNAGLA
SCHEMBL2818793 0.82 ADORA2A (0.67) ADORA2AKDM4EALDH1A1LMNAGLA
SCHEMBL2820462 0.81 ADORA2A (0.67) ADORA2AKDM4EALDH1A1LMNAGLA
SCHEMBL2815320 0.81 ADORA2A (0.67) ADORA2AKDM4EALDH1A1LMNAGLA

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 1818/4885KDM4E 2878/4885ALDH1A1 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.