SCHEMBL2820342

SCHEMBL2820342

Nc1nc2ccccc2n2c(-c3cccc([N+](=O)[O-])c3)cnc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.48
CFTR P13569 8/20 0.47
ADORA2A P29274 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
FGFR1 P11362 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2815475 0.87 ADORA2A (0.57) NPC1RAB9ACYP1A2CFTRADORA2A
SCHEMBL2816000 0.84 CFTR (0.47) NPC1RAB9ACYP1A2CFTRMEN1
SCHEMBL2815057 0.82 IKBKB (0.46) NPC1RAB9ACYP1A2CFTRMEN1
SCHEMBL2817520 0.80 ADORA2A (0.52) CYP1A2ADORA2AMEN1KMT2ANPSR1
SCHEMBL2816944 0.80 ADORA2A (0.44) NPC1RAB9AADORA2AMEN1KMT2A
SCHEMBL2815156 0.80 ADORA2A (0.55) CFTRADORA2ALMNAHTTSMN1; SMN2
SCHEMBL2817247 0.80 ADORA2A (0.52) ADORA2A
SCHEMBL2816841 0.79 ATR (0.43) NPC1RAB9AADORA2AMEN1KMT2A
SCHEMBL2817184 0.78 ADORA2A (0.45) CFTRADORA2ANPSR1LMNAALDH1A1
SCHEMBL2816236 0.77 ADORA2A (0.57) ADORA2ATDP1FGFR1SMN1; SMN2

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-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 NPC1 2184/4885RAB9A 639/4885CYP1A2 223/4885

“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.