SCHEMBL14965460

SCHEMBL14965460

COc1cc(CCNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.40
EPHA2 P29317 4/20 0.39
ERBB2 P04626 1/20 0.39
EPHB4 P54760 1/20 0.39
HPGD P15428 1/20 0.38
CHEK1 O14757 2/20 0.38
NQO2 P16083 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
PDE4B Q07343 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
NR1D1 P20393 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL17685004 0.89 EPHX2 (0.41) EPHX2ALDH1A1HPGDCHEK1NQO2
SCHEMBL16195216 0.87 CHEK1 (0.41) ALDH1A1EPHA2ERBB2EPHB4HPGD
SCHEMBL16206587 0.86 HPGD (0.42) EPHX2HPGDCHEK1NQO2MTNR1A
SCHEMBL14965259 0.78 EPHX2 (0.47) EPHX2ALDH1A1CHEK1MAPTTP53
SCHEMBL14970196 0.78 EPHA2 (0.38) EPHX2ALDH1A1EPHA2ERBB2EPHB4
SCHEMBL14965462 0.78 EPHA2 (0.38) EPHX2ALDH1A1EPHA2ERBB2EPHB4
SCHEMBL14968881 0.76 CHEK1 (0.46) EPHX2ALDH1A1CHEK1MEN1KMT2A
SCHEMBL14968880 0.76 CHEK1 (0.46) EPHX2ALDH1A1CHEK1MEN1KMT2A
SCHEMBL14965223 0.76 CHEK1 (0.70) CHEK1
SCHEMBL17684951 0.76 CHEK1 (0.70) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2017-08-31 US disclosed
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2017-08-31 US disclosed
US-9630931-B2 Pharmaceutically active pyrazine derivatives SENTINEL ONCOLOGY LIMITED (GB) 2017-04-25 US disclosed
US-9630931-B2 Pharmaceutically active pyrazine derivatives SENTINEL ONCOLOGY LIMITED (GB) 2017-04-25 US disclosed
EP-2780331-B1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LTD (GB) 2016-04-20 EP disclosed
EP-2780331-B1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LTD (GB) 2016-04-20 EP disclosed
US-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives SENTINEL ONCOLOGY LIMITED (GB) 2014-10-30 US disclosed
US-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives SENTINEL ONCOLOGY LIMITED (GB) 2014-10-30 US disclosed
EP-2780331-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES Sentinel Oncology Limited (GB) 2014-09-24 EP disclosed
WO-2013072502-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2013-05-23 WO 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 (2 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-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives PHKG1, PHKG2, PLK2 EPHX2 1557/4885ALDH1A1 3558/4885EPHA2 2268/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 EPHX2 1594/4885ALDH1A1 3827/4885EPHA2 2289/4885

“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.