SCHEMBL2815451

SCHEMBL2815451

CNc1nc2ccccc2n2cc(-c3cccc([N+](=O)[O-])c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.52
CFTR P13569 4/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA1 P30542 3/20 0.45
SSTR1 P30872 1/20 0.45
SSTR2 P30874 1/20 0.45
SSTR3 P32745 1/20 0.45
SSTR5 P35346 1/20 0.45
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL2815320 0.88 ADORA2A (0.67) ADORA2ACFTRALDH1A1MAPTNPC1
SCHEMBL2818093 0.85 ADORA2A (0.50) ADORA2ACFTRALDH1A1MAPTTHRB
SCHEMBL2816220 0.84 ADORA2A (0.70) ADORA2ACFTRCASP3SENP8SENP7
SCHEMBL2818166 0.81 ADORA2A (0.65) ADORA2AALDH1A1MAPTSMN1; SMN2ADORA1
SCHEMBL2817781 0.81 ADORA2A (0.48) ADORA2AALDH1A1TDP1SMN1; SMN2ADORA1
SCHEMBL2818071 0.81 GAA (0.48) ADORA2AALDH1A1ADORA1KDM4ETOP2A
SCHEMBL2816623 0.79 ADORA2A (0.69) ADORA2AALDH1A1MAPTTDP1RAB9A
SCHEMBL2818300 0.79 ALDH1A1 (0.52) ADORA2ACFTRALDH1A1MAPTADORA1
SCHEMBL2816000 0.78 CFTR (0.47) CFTRALDH1A1MAPTTHRBTDP1
SCHEMBL2815659 0.77 ADORA2A (0.53) ADORA2AALDH1A1MAPTTDP1RAB9A

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 1818/4885CFTR 3344/4885ALDH1A1 657/4885

“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.