SCHEMBL2849313

SCHEMBL2849313

CC(C)(C)OC(=O)NCCNC(=O)c1nc(NCc2ccccc2)c(C(=O)NCCNC(=O)OC(C)(C)C)nc1NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
IDO1 P14902 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
BRD4 O60885 2/20 0.45
MALT1 Q9UDY8 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.43
ACHE P22303 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL2843448 0.87 L3MBTL1 (0.46) BCHECA12CA1L3MBTL1MEN1
SCHEMBL2845744 0.85 BRD4 (0.45) BCHECA1L3MBTL1MEN1KMT2A
SCHEMBL2838329 0.83 BCHE (0.48) BCHEL3MBTL1MEN1KMT2ABRD4
SCHEMBL2846431 0.80 STK17B (0.45) BCHEL3MBTL1MEN1KMT2ABRD4
SCHEMBL752391 0.80 CA1 (0.54) IDO1CA12CA1CA7CA14
SCHEMBL2842705 0.78 STK17B (0.47) BCHEMEN1KMT2ABRD4GAA
SCHEMBL22605044 0.78 ATM (0.58) BCHEIDO1CA12CA1CA7
SCHEMBL894822 0.78 ATM (0.58) BCHEIDO1CA12CA1CA7
SCHEMBL16748723 0.76 STK17B (0.41) BCHEMEN1KMT2ABRD4MALT1
SCHEMBL3838871 0.76 CA12 (0.63) IDO1CA12CA1CA7CA14

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 10 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
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 BCHE 2216/4885IDO1 1220/4885CA12 2020/4885
US-20100021382-A1 Pyrazine Derivatives and Uses Thereof DPYD, PRDX5, NOX5 BCHE 2945/4885IDO1 2260/4885CA12 1816/4885

“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.