SCHEMBL2816602

SCHEMBL2816602

NCCNc1nc2ccccc2n2cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.60
CHEK1 O14757 1/20 0.50
MAPKAPK2 P49137 1/20 0.50
ADORA1 P30542 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TOP2A P11388 1/20 0.41
MAPK8 P45983 1/20 0.41
SYK P43405 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
SCHEMBL2818821 0.89 KDM4E (0.47) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL2814644 0.89 ADORA2A (0.60) ADORA2ACHEK1MAPKAPK2ADORA1ALDH1A1
SCHEMBL2820489 0.89 ADORA2A (0.60) ADORA2ACHEK1MAPKAPK2ADORA1ALDH1A1
SCHEMBL2815013 0.88 LCK (0.46) ADORA2ACHEK1MAPKAPK2ADORA1ALDH1A1
SCHEMBL2817446 0.86 ADORA2A (0.62) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL2815826 0.86 ADORA2A (0.62) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL2819810 0.85 ADORA2A (0.46) ADORA2ACHEK1MAPKAPK2ADORA1ALDH1A1
SCHEMBL2815196 0.84 ADORA2A (0.64) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL2819633 0.84 ADORA2A (0.49) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL2816214 0.82 ADORA2A (0.63) ADORA2AADORA1ALDH1A1KDM4ELMNA

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 ADORA2A 1818/4885CHEK1 11/4885MAPKAPK2 605/4885

“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.