SCHEMBL2814644

SCHEMBL2814644

NCCNc1nc2ccccc2n2cc(-c3ccc(O)cc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.60
ADORA1 P30542 3/20 0.46
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
CHEK1 O14757 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
TOP2A P11388 1/20 0.41
MAPK8 P45983 1/20 0.41
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL2816602 0.89 ADORA2A (0.60) ADORA2AADORA1GAAKDM4EALDH1A1
SCHEMBL2820489 0.89 ADORA2A (0.60) ADORA2AADORA1GAAKDM4EALDH1A1
SCHEMBL2818821 0.89 KDM4E (0.47) ADORA2AADORA1GAAKDM4EALDH1A1
SCHEMBL2816969 0.88 ADORA2A (0.46) ADORA2AADORA1GAAKDM4EALDH1A1
SCHEMBL2819810 0.87 ADORA2A (0.46) ADORA2AADORA1GAAKDM4EALDH1A1
SCHEMBL2820461 0.87 ADORA2A (0.44) ADORA2AADORA1GAAKDM4EALDH1A1
SCHEMBL2817446 0.86 ADORA2A (0.62) ADORA2AADORA1GAAKDM4EALDH1A1
SCHEMBL2815826 0.86 ADORA2A (0.62) ADORA2AADORA1GAAKDM4EALDH1A1
SCHEMBL2819623 0.85 ADORA2A (0.41) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2819633 0.84 ADORA2A (0.49) ADORA2AADORA1GAAKDM4EALDH1A1

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 1985/4885GAA 782/4885

“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.