SCHEMBL2816623

SCHEMBL2816623

CNc1nc2ccccc2n2cc(-c3cccc(OC)c3)nc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.69
ADORA1 P30542 6/20 0.69
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
TOP2A P11388 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL2815659 0.88 ADORA2A (0.53) ADORA2AADORA1KDM4EGAAHPGD
SCHEMBL2820462 0.87 ADORA2A (0.67) ADORA2AADORA1KDM4EGAAHPGD
SCHEMBL2818884 0.85 ADORA2A (0.64) ADORA2AADORA1KDM4EGAAHPGD
SCHEMBL2815649 0.85 ADORA2A (0.73) ADORA2AADORA1KDM4EGAAHPGD
SCHEMBL2816349 0.84 KDM4E (0.63) ADORA2AADORA1KDM4EGAAHPGD
SCHEMBL2815382 0.84 KDM4E (0.48) ADORA2AADORA1KDM4EGAAHPGD
SCHEMBL2818071 0.84 GAA (0.48) ADORA2AADORA1KDM4EGAAHPGD
SCHEMBL2818166 0.84 ADORA2A (0.65) ADORA2AADORA1KDM4EGAAHPGD
SCHEMBL2818069 0.84 ADORA2A (0.71) ADORA2AADORA1KDM4EGAAHPGD
SCHEMBL2817513 0.84 ADORA2A (0.91) ADORA2AADORA1ADORA3

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 1985/4885KDM4E 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.