SCHEMBL14965462

SCHEMBL14965462

CCN(C(=O)C1CN(C(=O)OC(C)(C)C)CCO1)c1cc(OC)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.38
ERBB2 P04626 1/20 0.38
EPHB4 P54760 1/20 0.38
NR1D1 P20393 2/20 0.36
GPR119 Q8TDV5 2/20 0.35
PDE4B Q07343 2/20 0.35
EPHX2 P34913 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL14970196 1.00 EPHA2 (0.38) EPHA2ERBB2EPHB4NR1D1GPR119
SCHEMBL17685006 0.89 ALDH1A1 (0.38) EPHX2MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL16195218 0.87 EPHA2 (0.39) EPHA2ERBB2EPHB4GPR119PDE4B
SCHEMBL14965460 0.78 EPHX2 (0.42) EPHA2ERBB2EPHB4NR1D1PDE4B
SCHEMBL14965226 0.75 CHEK1 (0.53)
SCHEMBL20632159 0.71 PDE4B (0.41) PDE4BEPHX2MAPTALDH1A1LMNA
SCHEMBL22858566 0.70 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL29508963 0.70 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL3581562 0.70 USP2 (0.47) GPR119MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL22567661 0.69 USP2 (0.46) GPR119MAPTALDH1A1SMN1; SMN2HPGD

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 EPHA2 2268/4885ERBB2 223/4885EPHB4 2583/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 EPHA2 2289/4885ERBB2 211/4885EPHB4 2611/4885

“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.