SCHEMBL2815374

SCHEMBL2815374

COc1ccc(-c2cn3c(n2)c(NCCN)nc2ccccc23)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.49
ADORA1 P30542 3/20 0.46
ADORA3 P0DMS8 1/20 0.46
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
TLR9 Q9NR96 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 2/20 0.40
TOP2A P11388 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
DCAF15 Q66K64 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2818045 0.89 ADORA2A (0.62) ADORA2AADORA1KDM4EKMT2AIKBKB
SCHEMBL2818200 0.86 ADORA2A (0.52) ADORA2AADORA1ADORA3KDM4EKMT2A
SCHEMBL2817446 0.85 ADORA2A (0.62) ADORA2AADORA1KDM4EMAPTIKBKB
SCHEMBL2818884 0.84 ADORA2A (0.64) ADORA2AADORA1ADORA3KDM4EKMT2A
SCHEMBL2816026 0.83 ADORA2A (0.53) ADORA2AADORA1KDM4EKMT2AMAPT
SCHEMBL2818141 0.81 ADORA2A (0.69) ADORA2AADORA1ADORA3TLR9TLR7
SCHEMBL2815872 0.80 ADORA2A (0.55) ADORA2AADORA1ADORA3KDM4EKMT2A
SCHEMBL2813901 0.80 IKBKB (0.51) ADORA3KDM4EKMT2AMAPTNPC1
SCHEMBL2820461 0.80 ADORA2A (0.44) ADORA2AADORA1KDM4EKMT2AMAPT
SCHEMBL2815680 0.79 ADORA2A (0.54) ADORA2AADORA1ADORA3KDM4EKMT2A

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 1818/4885ADORA1 1985/4885ADORA3 2351/4885

“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.