SCHEMBL2816236

SCHEMBL2816236

COc1cccc(-c2cnc3c(N)nc4ccccc4n23)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.57
ADORA1 P30542 5/20 0.57
ADORA3 P0DMS8 1/20 0.47
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RPS6KB1 P23443 1/20 0.43
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAP4K4 O95819 2/20 0.42
FGFR1 P11362 1/20 0.41

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
SCHEMBL17895075 0.91 ADORA2A (0.48) ADORA2AADORA1ADORA3IKBKBCHUK
SCHEMBL2818431 0.89 ADORA2A (0.50) ADORA2AADORA1ADORA3IKBKBCHUK
SCHEMBL2815094 0.87 ADORA2A (0.47) ADORA2AADORA1IKBKBTP53SMN1; SMN2
SCHEMBL2817439 0.87 ADORA2A (0.55) ADORA2AADORA1ADORA3TP53SMN1; SMN2
SCHEMBL2820689 0.86 ADORA2A (0.47) ADORA2AADORA1TP53SMN1; SMN2MAPT
SCHEMBL30136943 0.84 IKBKB (0.47) ADORA2AADORA1IKBKBCHUKTP53
SCHEMBL2817762 0.84 IKBKB (0.47) ADORA2AADORA1IKBKBCHUKTP53
SCHEMBL17894983 0.84 MEN1 (0.51) ADORA1TP53SMN1; SMN2MAPT
SCHEMBL2817520 0.82 ADORA2A (0.52) ADORA2AADORA1ADORA3IKBKBCHUK
SCHEMBL2815156 0.82 ADORA2A (0.55) ADORA2AADORA1ADORA3IKBKBCHUK

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 5 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 claimed
US-8378098-B2 Imidazol[1,2-α]quinoxalines and derivatives for the treatment of cancers UNIVERSITE DE MONTPELLIER I (FR) 2013-02-19 US claimed
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 US claimed
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.