SCHEMBL2816969

SCHEMBL2816969

NCCNc1nc2ccccc2n2cc(-c3cccc(O)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.46
ADORA1 P30542 5/20 0.46
CA2 P00918 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IKBKB O14920 3/20 0.40
CHUK O15111 3/20 0.40
TOP2A P11388 1/20 0.39
MAPK8 P45983 1/20 0.39
ERN1 O75460 1/20 0.38
RPS6KA4 O75676 1/20 0.38
PRKD3 O94806 1/20 0.38
CDK1 P06493 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL2814644 0.88 ADORA2A (0.60) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL2813740 0.87 ADORA2A (0.62) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2818730 0.87 ADORA2A (0.46) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2815013 0.87 LCK (0.46) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2817875 0.87 ADORA2A (0.47) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL2820461 0.86 ADORA2A (0.44) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL2816359 0.85 ADORA2A (0.49) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2818884 0.85 ADORA2A (0.64) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL2816065 0.85 ADORA2A (0.48) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2817781 0.83 ADORA2A (0.48) ADORA2AADORA1CA2ADORA3KDM4E

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 1985/4885CA2 1933/4885

“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.