SCHEMBL2815100

SCHEMBL2815100

Oc1ccccc1-c1cn2c(cnc3ccccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 3/20 0.41
GLA P06280 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 6/20 0.39
KMT2A Q03164 4/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NPY1R P25929 1/20 0.39
HTT P42858 1/20 0.39
NPY2R P49146 1/20 0.39
ADORA2A P29274 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 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
SCHEMBL2815669 0.87 KMT2A (0.44) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2818740 0.81 ADORA2A (0.58) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2816945 0.79 FYN (0.50) HSD17B10ADORA3LMNAADORA2ARAB9A
SCHEMBL13325889 0.77 MAPT (0.41) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL9540820 0.75 ADORA2A (0.58) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL9538674 0.74 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL9540864 0.74 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL9539492 0.73 FGFR1 (0.46) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL9542204 0.73 BCHE (0.49) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL16328032 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 657/4885KDM4E 2878/4885HPGD 222/4885

“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.