SCHEMBL2815872

SCHEMBL2815872

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.55
TLR9 Q9NR96 3/20 0.51
ADORA1 P30542 3/20 0.49
ADORA3 P0DMS8 1/20 0.48
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TLR7 Q9NYK1 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL2815680 0.87 ADORA2A (0.54) ADORA2ATLR9ADORA1ADORA3KDM4E
SCHEMBL2818141 0.87 ADORA2A (0.69) ADORA2ATLR9ADORA1ADORA3TLR7
SCHEMBL2817242 0.87 ADORA2A (0.71) ADORA2AADORA1KDM4EMAPTALDH1A1
SCHEMBL2818200 0.85 ADORA2A (0.52) ADORA2ATLR9ADORA1ADORA3KDM4E
SCHEMBL2820457 0.82 ADORA2A (0.71) ADORA2AADORA1KDM4EMEN1KMT2A
SCHEMBL2815649 0.81 ADORA2A (0.73) ADORA2AADORA1ADORA3KDM4EMAPT
SCHEMBL2815374 0.80 ADORA2A (0.49) ADORA2ATLR9ADORA1ADORA3KDM4E
SCHEMBL2817763 0.80 ADORA2A (0.59) ADORA2AADORA1KDM4EMEN1KMT2A
SCHEMBL2816630 0.79 ADORA2A (0.54) ADORA2AADORA1KDM4EMEN1KMT2A
SCHEMBL2814970 0.77 KDM4E (0.63) ADORA2AADORA1KDM4EMAPTALDH1A1

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 1818/4885TLR9 4541/4885ADORA1 1985/4885

“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.