SCHEMBL2845489

SCHEMBL2845489

Nc1nc(C(=O)NCCNC(=O)OCc2ccccc2)c(N)nc1C(=O)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A1 P43005 1/20 0.49
TGM2 P21980 1/20 0.49
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
PLAU P00749 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
KCNA5 P22460 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL18230731 0.85 PLAU (0.52) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL13055383 0.82 LMNA (0.80) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL2840246 0.80 HTT (0.56) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL9609127 0.79 PLAU (0.47) LMNASMN1; SMN2L3MBTL1MAPTPLAU
SCHEMBL5019074 0.78 LMNA (0.73) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL10243339 0.76 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL614872 0.76 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
Hydrochloric Acid SCHEMBL4506331 0.76 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL6546647 0.76 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL18254066 0.76 HTT (0.81) LMNASMN1; SMN2HTTL3MBTL1MAPT

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 LMNA 2522/4885SMN1; SMN2 2655/4885HTT 1031/4885
US-20100021382-A1 Pyrazine Derivatives and Uses Thereof DPYD, PRDX5, NOX5 LMNA 4257/4885SMN1; SMN2 4082/4885HTT 2834/4885

“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.