SCHEMBL2819796

SCHEMBL2819796

Nc1nc2ccccc2n2c(-c3cccc(O)c3O)cnc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.41
ADORA3 P0DMS8 7/20 0.41
ADORA1 P30542 4/20 0.39
TLR7 Q9NYK1 4/20 0.38
CSNK1A1 P48729 1/20 0.36
CLK2 P49760 1/20 0.36
LIMK1 P53667 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36

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
SCHEMBL2818159 0.82 ADORA2A (0.46) ADORA2AADORA3ADORA1TLR7
SCHEMBL2813915 0.82 HTR2C (0.44) IKBKBCHUK
SCHEMBL2816653 0.80 IKBKB (0.46) ADORA3LIMK1IKBKBCHUK
SCHEMBL2819611 0.78 ADORA2A (0.55) ADORA2AADORA3ADORA1TLR7
SCHEMBL17895242 0.78 ADORA2A (0.45) ADORA2AADORA3ADORA1TLR7CSNK1A1
SCHEMBL2817520 0.77 ADORA2A (0.52) ADORA2AADORA3ADORA1TLR7CSNK1A1
SCHEMBL17895273 0.77 ADORA2A (0.45) ADORA2AADORA3ADORA1TLR7CSNK1A1
SCHEMBL2816480 0.76 ADORA2A (0.48) ADORA2AADORA3ADORA1TLR7
SCHEMBL2817813 0.75 TYMS (0.44)
SCHEMBL2820361 0.73 ADORA2A (0.56) 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 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.