SCHEMBL2816752

SCHEMBL2816752

COc1ccc(-c2cn3c(n2)c(Cl)nc2ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.70
ADORA1 P30542 3/20 0.53
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
NFKB1 P19838 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
CNR2 P34972 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL2818069 0.86 ADORA2A (0.71) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL2820457 0.86 ADORA2A (0.71) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL2817874 0.85 ADORA2A (0.64) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL2815835 0.85 ADORA2A (0.90) ADORA2AADORA1
SCHEMBL2814103 0.83 ADORA2A (0.67) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL2820462 0.82 ADORA2A (0.67) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL2815680 0.82 ADORA2A (0.54) ADORA2AADORA1KDM4ESMN1; SMN2MAPT
SCHEMBL2817230 0.80 ADORA2A (0.70) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL2817446 0.77 ADORA2A (0.62) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL2814970 0.76 KDM4E (0.63) ADORA2AADORA1ALDH1A1KDM4EHPGD

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 1985/4885ALDH1A1 657/4885

“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.