SCHEMBL2843575

SCHEMBL2843575

CC(C)(C)OC(=O)NCCNC(=O)c1nc(NC2CCCCC2)c(C(=O)NCCNC(=O)OC(C)(C)C)nc1NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
BCHE P06276 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
GBA1 P04062 1/20 0.36

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
SCHEMBL2838329 0.79 BCHE (0.48) EPHX1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL5113769 0.76 EPHX1 (0.73) EPHX1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL2846431 0.76 STK17B (0.45) EPHX1GAATDP1MEN1KMT2A
SCHEMBL32660220 0.74 EPHX1 (0.53) EPHX1GAANPSR1POLB
SCHEMBL32660206 0.74 EPHX1 (0.53) EPHX1GAANPSR1POLB
SCHEMBL5416045 0.74 EPHX1 (0.70) EPHX1GAATDP1MEN1KMT2A
SCHEMBL14506128 0.73 EPHX1 (1.00) EPHX1GAAEPHX2
SCHEMBL2632886 0.72 TDP1 (0.45) EPHX1GAATDP1MEN1KMT2A
SCHEMBL2842705 0.72 STK17B (0.47) GAATDP1MEN1KMT2ABCHE
SCHEMBL19263939 0.71 EPHX1 (0.66) EPHX1GAATDP1MEN1KMT2A

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 8 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

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 EPHX1 866/4885OPRM1 2593/4885OPRD1 3358/4885
US-20100021382-A1 Pyrazine Derivatives and Uses Thereof DPYD, PRDX5, NOX5 EPHX1 1983/4885OPRM1 2100/4885OPRD1 1935/4885

“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.