SCHEMBL2816359

SCHEMBL2816359

N#Cc1cccc(-c2cn3c(n2)c(NCCN)nc2ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.49
ADORA1 P30542 3/20 0.44
CFTR P13569 1/20 0.41
CYP1A2 P05177 5/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
USP2 O75604 3/20 0.40
CYP2D6 P10635 3/20 0.40
MAPK1 P28482 3/20 0.40
CYP2C19 P33261 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2815826 0.90 ADORA2A (0.62) ADORA2AADORA1ALDH1A1LMNAKDM4E
SCHEMBL2813740 0.85 ADORA2A (0.62) ADORA2AADORA1CFTRALDH1A1MAPK1
SCHEMBL2816969 0.85 ADORA2A (0.46) ADORA2AADORA1ALDH1A1LMNAKDM4E
SCHEMBL2818730 0.85 ADORA2A (0.46) ADORA2AADORA1ALDH1A1LMNAKDM4E
SCHEMBL2815013 0.85 LCK (0.46) ADORA2AADORA1ALDH1A1CLK4USP2
SCHEMBL2818300 0.84 ALDH1A1 (0.52) ADORA2AADORA1CFTRCYP1A2ALDH1A1
SCHEMBL2818884 0.83 ADORA2A (0.64) ADORA2AADORA1CYP1A2ALDH1A1CYP3A4
SCHEMBL2817875 0.83 ADORA2A (0.47) ADORA2AADORA1ALDH1A1LMNAKDM4E
SCHEMBL2816065 0.83 ADORA2A (0.48) ADORA2AADORA1ALDH1A1LMNAMEN1
SCHEMBL2817849 0.82 ADORA2A (0.69) ADORA2AADORA1

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 1985/4885CFTR 3344/4885

“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.