SCHEMBL14965261

SCHEMBL14965261

COc1cc(CC(Cl)NCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
YAP1 P46937 3/20 0.41
EPHX2 P34913 1/20 0.41
STS P08842 1/20 0.40
NR1D1 P20393 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GNRHR P30968 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
SCHEMBL16195435 0.88 MEN1 (0.42) KDM4EEPHX2MEN1KMT2AALDH1A1
SCHEMBL14968882 0.86 GPR119 (0.42) YAP1EPHX2STSPDE4APDE4B
SCHEMBL2593353 0.84 MAPT (0.51) KDM4EMEN1KMT2AALDH1A1
SCHEMBL14965475 0.83 NR1D1 (0.41) TGFBR1KDM4EPKMYAP1EPHX2
SCHEMBL14965496 0.78 EPHX2 (0.44) TGFBR1KDM4EPKMYAP1EPHX2
SCHEMBL18970187 0.77 ALDH1A1 (0.52) KDM4EMEN1KMT2AALDH1A1
SCHEMBL28432451 0.76 PDE4B (0.58) KDM4ESTSMEN1KMT2APDE4A
SCHEMBL18970133 0.75 ALDH1A1 (0.63) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL14965259 0.75 EPHX2 (0.47) TGFBR1KDM4EPKMEPHX2STS
SCHEMBL31700579 0.74 MAPT (0.53) TGFBR1SUV39H2ALDH1A1

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 TGFBR1 2106/4885KDM4E 1234/4885PKM 219/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 TGFBR1 2211/4885KDM4E 1115/4885PKM 263/4885

“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.