SCHEMBL14965475

SCHEMBL14965475

COc1cc(CC(Cl)N(CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.41
YAP1 P46937 2/20 0.38
EPHX2 P34913 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
TGFBR1 P36897 1/20 0.37
GPR119 Q8TDV5 4/20 0.37
STS P08842 1/20 0.36
LIMK2 P53671 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL14965439 0.87 YAP1 (0.39) YAP1PDE4APDE4BPDE4CPDE4D
SCHEMBL2596261 0.84 LMNA (0.48) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL14965261 0.83 TGFBR1 (0.44) NR1D1YAP1EPHX2PDE4APDE4B
SCHEMBL14968866 0.80 HTR4 (0.38) YAP1
SCHEMBL14968882 0.79 GPR119 (0.42) YAP1EPHX2PDE4APDE4BPDE4C
SCHEMBL14774799 0.78 KMT2A (0.42) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL14965492 0.78 ALDH1A1 (0.36) EPHX2ALDH1A1MAPTLMNAKDM4E
SCHEMBL2589887 0.78 SNCA (0.41) NR1D1ALDH1A1MAPTLMNA
SCHEMBL14969460 0.76 CHEK1 (0.55)
SCHEMBL2596248 0.75 SNCA (0.39) ALDH1A1LMNA

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 NR1D1 1725/4885YAP1 2410/4885EPHX2 1557/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 NR1D1 1692/4885YAP1 2218/4885EPHX2 1594/4885

“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.