SCHEMBL2845744

SCHEMBL2845744

CC(C)(C)OC(=O)NCCNC(=O)c1nc(NCc2ccc([N+](=O)[O-])cc2)c(C(=O)NCCNC(=O)OC(C)(C)C)nc1NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAPT P10636 6/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
RAB9A P51151 2/20 0.40
EGFR P00533 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2849313 0.85 BCHE (0.48) BRD4L3MBTL1MAPTCA1BCHE
SCHEMBL2843448 0.84 L3MBTL1 (0.46) BRD4L3MBTL1MAPTRAB9ACA1
SCHEMBL372131 0.79 PPARG (0.51) L3MBTL1APOBEC3AAPOBEC3GMAPTPPARA
SCHEMBL751290 0.78 MAPT (0.60) APOBEC3AAPOBEC3GMAPTPPARAPPARG
SCHEMBL2838329 0.78 BCHE (0.48) BRD4L3MBTL1BCHEMEN1GAA
SCHEMBL1717941 0.77 MAPT (0.56) MAPTPPARAPPARGRAB9ACA1
SCHEMBL5723717 0.76 ALDH1A1 (0.53) MAPTPPARAPPARGRAB9AGAA
SCHEMBL5623908 0.76 MAPT (0.59) MAPTMEN1GAAHTTKMT2A
SCHEMBL18664385 0.76 HDAC1 (0.49) L3MBTL1PPARAPPARGCA1CA2
SCHEMBL27262445 0.76 PPARG (0.48) L3MBTL1MAPTPPARAPPARGRAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145879-B1 Pyrazine derivatives, methods of use, and methods for preparing same MEDIBEACON LLC (US) 2015-07-29 EP disclosed
EP-2145879-B1 Pyrazine derivatives, methods of use, and methods for preparing same MEDIBEACON LLC (US) 2015-07-29 EP disclosed
US-8481734-B2 Pyrazine derivatives and uses thereof, including in medical imaging and visualization applications MEDIBEACON DEVELOPMENT LLC (US) 2013-07-09 US disclosed
US-20100021382-A1 Pyrazine Derivatives and Uses Thereof MALLINCKRODT INC. (US) 2010-01-28 US disclosed
EP-2145879-A1 Pyrazine derivatives, methods of use, and methods for preparing same Mallinckrodt Inc. (US) 2010-01-20 EP disclosed
US-20100010223-A1 Pyrazine derivatives, Methods of use, and methods for preparing same MALLINCKRODT INC. (US) 2010-01-14 US disclosed
US-20100010223-A1 Pyrazine derivatives, Methods of use, and methods for preparing same MALLINCKRODT INC. (US) 2010-01-14 US disclosed
EP-2143716-A1 Pyrazine derivatives, methods of use, and methods for preparing same Mallinckrodt Inc. (US) 2010-01-13 EP disclosed
EP-2143716-A1 Pyrazine derivatives, methods of use, and methods for preparing same Mallinckrodt Inc. (US) 2010-01-13 EP 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-20100010223-A1 Pyrazine derivatives, Methods of use, and methods for preparing same DPYD, DHPS, DHX15 BRD4 1173/4885L3MBTL1 4744/4885APOBEC3A 174/4885
US-20100021382-A1 Pyrazine Derivatives and Uses Thereof DPYD, PRDX5, NOX5 BRD4 463/4885L3MBTL1 4336/4885APOBEC3A 841/4885

“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.