SCHEMBL2817616

SCHEMBL2817616

COc1nc2ccccc2n2c(-c3ccc(O)cc3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
ADORA2A P29274 4/20 0.39
ADORA1 P30542 2/20 0.39
BCHE P06276 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
FYN P06241 2/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
FLT3 P36888 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
CACNG2 Q9Y698 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL2817449 0.90 IKBKB (0.50) IKBKBADORA2AADORA1MAOAMAOB
SCHEMBL2819621 0.89 FLT3 (0.47) ADORA2AMAOAMAOBADORA3FLT3
SCHEMBL2815424 0.87 IKBKB (0.47) IKBKBADORA2AADORA1FYNFLT3
SCHEMBL2819649 0.82 MAPT (0.42) IKBKBADORA2AADORA1ADORA3FYN
SCHEMBL2814886 0.81 TYMS (0.47) ADORA2AADORA1BCHEADORA3FYN
SCHEMBL2815094 0.81 ADORA2A (0.47) IKBKBADORA2AADORA1FLT3ALDH1A1
SCHEMBL2815052 0.80 HTR2C (0.47) IKBKBADORA2AADORA1BCHEESR1
SCHEMBL2820672 0.79 PDE2A (0.52) IKBKBADORA2AADORA1FLT3ALDH1A1
SCHEMBL2816223 0.75 ALDH1A1 (0.46) ADORA2AMAOAMAOBFLT3ALDH1A1
SCHEMBL2817439 0.75 ADORA2A (0.55) ADORA2AADORA1MAOAMAOBADORA3

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 6 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
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 IKBKB 855/4885ADORA2A 1818/4885ADORA1 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.