SCHEMBL14968880

SCHEMBL14968880

COc1cc(CCNC(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.46
EPHX2 P34913 1/20 0.45
SUV39H2 Q9H5I1 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DPP4 P27487 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
STS P08842 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL14968881 1.00 CHEK1 (0.46) CHEK1EPHX2SUV39H2GPR119ALDH1A1
SCHEMBL14965344 0.87 CHEK1 (0.59) CHEK1EPHX2SUV39H2ALDH1A1MAPT
SCHEMBL14965259 0.85 EPHX2 (0.47) CHEK1EPHX2SUV39H2GPR119ALDH1A1
SCHEMBL16206582 0.82 CHEK1 (0.41) CHEK1EPHX2ALDH1A1NPC1MAPT
SCHEMBL16206575 0.80 CHEK1 (0.40) CHEK1EPHX2ALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL14965343 0.80 CHEK1 (0.39) CHEK1EPHX2ALDH1A1MAPTL3MBTL1
SCHEMBL14965496 0.79 EPHX2 (0.44) EPHX2SUV39H2GPR119MAPTDPP4
SCHEMBL14965473 0.78 EPHX2 (0.43) EPHX2SUV39H2GPR119ALDH1A1MAPT
SCHEMBL2593352 0.76 MAPT (0.49) CHEK1EPHX2SUV39H2ALDH1A1MAPT
SCHEMBL14965460 0.76 EPHX2 (0.42) CHEK1EPHX2ALDH1A1NPC1MAPT

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 6 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-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
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 CHEK1 36/4885EPHX2 1557/4885SUV39H2 1242/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 CHEK1 29/4885EPHX2 1594/4885SUV39H2 1050/4885

“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.