SCHEMBL2815013

SCHEMBL2815013

NCCNc1nc2ccccc2n2cc(-c3cccc(Cl)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
ADORA2A P29274 8/20 0.46
ADORA1 P30542 6/20 0.46
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SYK P43405 1/20 0.44
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
CSNK2A1 P68400 2/20 0.41
MAPK13 O15264 1/20 0.41
DYRK3 O43781 1/20 0.41
MAP4K4 O95819 1/20 0.41
FYN P06241 1/20 0.41

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 0.88 ADORA2A (0.60) ADORA2AADORA1SYKKDM4EALDH1A1
SCHEMBL2813740 0.87 ADORA2A (0.62) ADORA2AADORA1MAPTKDM4EALDH1A1
SCHEMBL2816969 0.87 ADORA2A (0.46) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2818730 0.87 ADORA2A (0.46) LCKADORA2AADORA1SYKKDM4E
SCHEMBL2816359 0.85 ADORA2A (0.49) ADORA2AADORA1USP2MAPTKMT2A
SCHEMBL2818884 0.85 ADORA2A (0.64) ADORA2AADORA1KMT2ASYKKDM4E
SCHEMBL2817875 0.85 ADORA2A (0.47) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2816065 0.85 ADORA2A (0.48) ADORA2AADORA1MAPTKMT2ASMN1; SMN2
SCHEMBL2818071 0.83 GAA (0.48) LCKADORA2AADORA1KDM4EALDH1A1
SCHEMBL2818093 0.83 ADORA2A (0.50) ADORA2AADORA1MAPTKMT2AKDM4E

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 LCK 1054/4885ADORA2A 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.