SCHEMBL14965352

SCHEMBL14965352

COc1cc(CCNC(=O)CCl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
NQO2 P16083 3/20 0.51
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42
PAX8 Q06710 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL14965535 0.82 CHEK1 (0.55) CYP1A2CYP3A4CYP2C19MTNR1AMTNR1B
SCHEMBL2596015 0.80 CHEK1 (0.46) CYP1A2CYP3A4CYP2C19MTNR1AMTNR1B
SCHEMBL2595559 0.78 PDGFRB (0.50) CYP1A2CYP3A4CYP2C19MTNR1AMTNR1B
SCHEMBL2595478 0.78 SMN1; SMN2 (0.41) CYP3A4CYP2C19MTNR1AMTNR1BNQO2
SCHEMBL14965715 0.78 TAAR1 (0.54) MAPTALDH1A1LMNAHTT
SCHEMBL2589897 0.77 ALDH1A1 (0.48) CYP3A4RAB9ANPC1MAPTALDH1A1
SCHEMBL16428848 0.77 MTNR1A (0.55) CYP1A2CYP3A4CYP2C19MTNR1AMTNR1B
SCHEMBL19180992 0.77 RAB9A (0.46) CYP1A2CYP3A4CYP2C19RAB9ANPC1
SCHEMBL16206572 0.76 HTR2A (0.43) CYP1A2CYP3A4CYP2C19MTNR1AMTNR1B
SCHEMBL14768412 0.75 HTR2A (0.54) CYP1A2CYP3A4CYP2C19RAB9ANPC1

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 12 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-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
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
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

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 CYP1A2 1045/4885CYP3A4 870/4885CYP2C19 1386/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 CYP1A2 978/4885CYP3A4 899/4885CYP2C19 1941/4885

“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.