SCHEMBL2817875

SCHEMBL2817875

NCCNc1nc2ccccc2n2cc(-c3cccc(C(=O)O)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.47
ADORA1 P30542 3/20 0.47
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
CSNK2A1 P68400 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
BRD4 O60885 3/20 0.40
PPARG P37231 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39

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
SCHEMBL2819810 0.90 ADORA2A (0.46) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2816969 0.87 ADORA2A (0.46) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2813740 0.85 ADORA2A (0.62) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2815013 0.85 LCK (0.46) ADORA2AADORA1CSNK2A2CSNK2BCSNK2A1
SCHEMBL2818730 0.85 ADORA2A (0.46) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2815073 0.84 ADORA2A (0.51) ADORA2AADORA1CSNK2A2CSNK2BCSNK2A1
SCHEMBL2816359 0.83 ADORA2A (0.49) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2818093 0.82 ADORA2A (0.50) ADORA2AADORA1KDM4EALDH1A1
SCHEMBL2818884 0.82 ADORA2A (0.64) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2816065 0.82 ADORA2A (0.48) ADORA2AADORA1KDM4EALDH1A1LMNA

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 1818/4885ADORA1 1985/4885CSNK2A2 213/4885

“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.