SCHEMBL2815652

SCHEMBL2815652

NCCNc1nc2ccccc2n2cc(-c3cccc(O)c3O)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.39
MAPK8 P45983 2/20 0.39
TOP2A P11388 1/20 0.39
ADORA1 P30542 1/20 0.38
LCK P06239 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
IKBKB O14920 3/20 0.35
CHUK O15111 3/20 0.35
ERN1 O75460 1/20 0.35
RPS6KA4 O75676 1/20 0.35
PRKD3 O94806 1/20 0.35

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
SCHEMBL2819623 0.93 ADORA2A (0.41) ADORA2AMAPK8TOP2AADORA1LCK
SCHEMBL2820461 0.86 ADORA2A (0.44) ADORA2AMAPK8TOP2AADORA1LCK
SCHEMBL2817814 0.83 TOP2A (0.48) ADORA2ATOP2AADORA1MEN1KMT2A
SCHEMBL2814644 0.81 ADORA2A (0.60) ADORA2AMAPK8TOP2AADORA1KDM4E
SCHEMBL2818045 0.81 ADORA2A (0.62) ADORA2ATOP2AADORA1LCKMEN1
SCHEMBL2816969 0.81 ADORA2A (0.46) ADORA2AMAPK8TOP2AADORA1KDM4E
SCHEMBL2816026 0.80 ADORA2A (0.53) ADORA2ATOP2AADORA1LCKMEN1
SCHEMBL2820361 0.79 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL2816653 0.78 IKBKB (0.46) MEN1KMT2ARXFP1IKBKBCHUK
SCHEMBL2816602 0.77 ADORA2A (0.60) ADORA2AMAPK8TOP2AADORA1KDM4E

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 1818/4885MAPK8 1243/4885TOP2A 5/4885

“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.