SCHEMBL2815477

SCHEMBL2815477

CNc1nc2ccccc2n2c(-c3cccc(C(=O)O)c3)cnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.58
CHUK O15111 5/20 0.58
LDHA P00338 2/20 0.46
YTHDC1 Q96MU7 1/20 0.44
PPARG P37231 1/20 0.42
TP53 P04637 1/20 0.41
HTR2C P28335 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
DUSP3 P51452 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2815092 0.88 IKBKB (0.46) IKBKBCHUKPPARGTP53HTR2C
SCHEMBL2816677 0.85 HTR2C (0.51) IKBKBCHUKTP53HTR2CMAPT
SCHEMBL2816940 0.85 IKBKB (0.49) IKBKBCHUKLDHALDHB
SCHEMBL2815160 0.84 IKBKB (0.47) IKBKBCHUKTP53HTR2CPOLB
SCHEMBL2816841 0.84 ATR (0.43) IKBKBCHUKLDHAPPARGMAPT
SCHEMBL2816959 0.82 IKBKB (0.47) IKBKBCHUKHTR2CMAPTALDH1A1
SCHEMBL2816218 0.82 IKBKB (0.47) IKBKBCHUKHTR2CSMN1; SMN2
SCHEMBL2815174 0.82 IKBKB (0.48) IKBKBCHUKHTR2CMAPTMEN1
SCHEMBL17895220 0.81 IKBKB (0.49) IKBKBCHUKTP53HTR2CPOLB
SCHEMBL2817762 0.81 IKBKB (0.47) IKBKBCHUKTP53HTR2CMAPT

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 IKBKB 855/4885CHUK 409/4885LDHA 1472/4885

“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.