SCHEMBL2817439

SCHEMBL2817439

COc1ccc(-c2cnc3c(N)nc4ccccc4n23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.55
ADORA1 P30542 5/20 0.55
ADORA3 P0DMS8 4/20 0.55
MAPT P10636 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 2/20 0.43
CNR2 P34972 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL17895075 0.89 ADORA2A (0.48) ADORA2AADORA1ADORA3MAPTKDM4E
SCHEMBL2816757 0.88 ADORA2A (0.58) ADORA2AADORA1ADORA3MAPTKDM4E
SCHEMBL2816236 0.87 ADORA2A (0.57) ADORA2AADORA1ADORA3MAPTSMN1; SMN2
SCHEMBL2819621 0.86 FLT3 (0.47) ADORA2AADORA3MAPTKDM4EALDH1A1
SCHEMBL2817520 0.85 ADORA2A (0.52) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL2816223 0.85 ALDH1A1 (0.46) ADORA2AMAPTKDM4EALDH1A1NPC1
SCHEMBL17894983 0.84 MEN1 (0.51) ADORA1MAPTKDM4EALDH1A1NPC1
SCHEMBL2816282 0.83 ALDH1A1 (0.48) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL2820339 0.83 ADORA2A (0.52) ADORA2AADORA1ADORA3MAPTNPC1
SCHEMBL2814962 0.83 ADORA2A (0.52) ADORA2AADORA1ADORA3MAPTKDM4E

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 5 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 claimed
US-8378098-B2 Imidazol[1,2-α]quinoxalines and derivatives for the treatment of cancers UNIVERSITE DE MONTPELLIER I (FR) 2013-02-19 US claimed
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 US claimed
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 1985/4885ADORA3 2351/4885

“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.