SCHEMBL2817446

SCHEMBL2817446

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.62
SYK P43405 3/20 0.49
ADORA1 P30542 4/20 0.48
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
DCAF15 Q66K64 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2819633 0.90 ADORA2A (0.49) ADORA2AADORA1KDM4EALDH1A1MAPT
SCHEMBL2818884 0.89 ADORA2A (0.64) ADORA2ASYKADORA1IKBKBCHUK
SCHEMBL2814644 0.86 ADORA2A (0.60) ADORA2AADORA1KDM4EALDH1A1MAPT
SCHEMBL2818821 0.86 KDM4E (0.47) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2820489 0.86 ADORA2A (0.60) ADORA2ASYKADORA1KDM4EALDH1A1
SCHEMBL2816602 0.86 ADORA2A (0.60) ADORA2ASYKADORA1KDM4EALDH1A1
SCHEMBL2815374 0.85 ADORA2A (0.49) ADORA2ASYKADORA1IKBKBCHUK
SCHEMBL2820462 0.84 ADORA2A (0.67) ADORA2ASYKADORA1KDM4EALDH1A1
SCHEMBL2818045 0.83 ADORA2A (0.62) ADORA2AADORA1IKBKBCHUKKDM4E
SCHEMBL2815826 0.83 ADORA2A (0.62) ADORA2AADORA1KDM4EALDH1A1LMNA

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 3 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 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 1818/4885SYK 2590/4885ADORA1 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.