SCHEMBL2820339

SCHEMBL2820339

Nc1nc2ccccc2n2c(-c3ccc(Br)cc3)cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.52
ADORA3 P0DMS8 5/20 0.41
ADORA1 P30542 3/20 0.41
TLR7 Q9NYK1 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MCHR1 Q99705 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CSNK1A1 P48729 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
SCHEMBL2817520 0.89 ADORA2A (0.52) ADORA2AADORA3ADORA1TLR7POLB
SCHEMBL2816282 0.86 ALDH1A1 (0.48) ADORA2AADORA3ADORA1TLR7NPC1
SCHEMBL2814962 0.86 ADORA2A (0.52) ADORA2AADORA3ADORA1NPC1RAB9A
SCHEMBL2815156 0.86 ADORA2A (0.55) ADORA2AADORA3ADORA1TLR7MAPT
SCHEMBL2817439 0.83 ADORA2A (0.55) ADORA2AADORA3ADORA1NPC1RAB9A
SCHEMBL2819637 0.83 ADORA2A (0.55) ADORA2AADORA3ADORA1TLR7GAA
SCHEMBL2817187 0.82 ADORA2A (0.43) ADORA2AADORA3ADORA1NPC1RAB9A
SCHEMBL2815475 0.81 ADORA2A (0.57) ADORA2AADORA3ADORA1NPC1RAB9A
SCHEMBL2816757 0.81 ADORA2A (0.58) ADORA2AADORA3ADORA1TLR7NPC1
SCHEMBL17895242 0.81 ADORA2A (0.45) ADORA2AADORA3ADORA1TLR7CSNK1A1

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 6 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
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 1818/4885ADORA3 2351/4885ADORA1 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.