SCHEMBL2843448

SCHEMBL2843448

COc1ccc(CNc2nc(C(=O)NCCNC(=O)OC(C)(C)C)c(NCc3ccc(OC)cc3)nc2C(=O)NCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
EPHX2 P34913 1/20 0.44
RAB9A P51151 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
BRD4 O60885 4/20 0.43
EGLN2 Q96KS0 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BCHE P06276 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.41

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 0.87 BCHE (0.48) L3MBTL1MEN1KMT2ABRD4GAA
SCHEMBL2845744 0.84 BRD4 (0.45) L3MBTL1MEN1KMT2ARAB9ABRD4
SCHEMBL2838329 0.80 BCHE (0.48) L3MBTL1MEN1KMT2ABRD4GAA
SCHEMBL21066545 0.80 KMT2A (0.52) L3MBTL1MEN1KMT2ANPC1EPHX2
SCHEMBL3120956 0.78 CTNNB1 (0.51) MEN1KMT2ANPC1RAB9ABRD4
SCHEMBL3285536 0.78 ADORA2A (0.46) L3MBTL1MEN1KMT2ANPC1EPHX2
SCHEMBL7652554 0.78 NPC1 (0.58) L3MBTL1MEN1KMT2ANPC1EPHX2
SCHEMBL2846431 0.77 STK17B (0.45) L3MBTL1MEN1KMT2ABRD4GAA
SCHEMBL13326022 0.77 ADORA2A (0.47) L3MBTL1MEN1KMT2ANPC1EPHX2
SCHEMBL8757522 0.75 GLA (0.67) KMT2ANPC1RAB9ASMN1; SMN2GAA

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
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 L3MBTL1 4744/4885MEN1 2228/4885KMT2A 1384/4885
US-20100021382-A1 Pyrazine Derivatives and Uses Thereof DPYD, PRDX5, NOX5 L3MBTL1 4336/4885MEN1 4222/4885KMT2A 3636/4885

“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.