SCHEMBL14965259

SCHEMBL14965259

COc1cc(CCNCC2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
TGFBR1 P36897 4/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
SUV39H2 Q9H5I1 3/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.39
HTR6 P50406 1/20 0.39
STS P08842 1/20 0.39
HTR2A P28223 1/20 0.38
CHEK1 O14757 1/20 0.38
GPR119 Q8TDV5 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
SCHEMBL16195433 0.88 EPHX2 (0.44) EPHX2KDM4EALDH1A1LMNAHTR2A
SCHEMBL16195436 0.88 EPHX2 (0.44) EPHX2KDM4EALDH1A1LMNAHTR2A
SCHEMBL14968880 0.85 CHEK1 (0.46) EPHX2SUV39H2MAPTALDH1A1STS
SCHEMBL14968881 0.85 CHEK1 (0.46) EPHX2SUV39H2MAPTALDH1A1STS
SCHEMBL14965496 0.84 EPHX2 (0.44) EPHX2TGFBR1KDM4EPKMSUV39H2
SCHEMBL14965473 0.83 EPHX2 (0.43) EPHX2TGFBR1SUV39H2TP53MAPT
SCHEMBL16206572 0.82 HTR2A (0.43) EPHX2MAPTALDH1A1LMNAHTR2A
SCHEMBL2593352 0.82 MAPT (0.49) EPHX2SUV39H2MAPTALDH1A1LMNA
SCHEMBL14965460 0.78 EPHX2 (0.42) EPHX2TP53MAPTALDH1A1CHEK1
SCHEMBL14968763 0.76 EPHX2 (0.38) EPHX2KDM4EMAPTALDH1A1LMNA

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 11 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
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 1557/4885TGFBR1 2106/4885KDM4E 1234/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 EPHX2 1594/4885TGFBR1 2211/4885KDM4E 1115/4885

“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.