SCHEMBL377000

SCHEMBL377000

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM4 P08173 1/20 0.42
HSD11B1 P28845 1/20 0.41
RORC P51449 4/20 0.41
ABCB1 P08183 1/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
PARP1 P09874 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL4126523 1.00 PDE4B (0.47) PDE4BKMT2AL3MBTL1CHRM4HSD11B1
SCHEMBL23113584 0.89 PDE4B (0.49) PDE4BKMT2AL3MBTL1CHRM4HSD11B1
SCHEMBL23113583 0.89 PDE4B (0.49) PDE4BKMT2AL3MBTL1CHRM4HSD11B1
SCHEMBL376879 0.88 PDE4B (0.53) PDE4BKMT2AL3MBTL1CHRM4HSD11B1
SCHEMBL4131437 0.88 PDE4B (0.53) PDE4BKMT2AL3MBTL1CHRM4HSD11B1
SCHEMBL20498564 0.88 PDE4B (0.53) PDE4BKMT2AL3MBTL1CHRM4HSD11B1
SCHEMBL13456796 0.87 KMT2A (0.55) PDE4BKMT2AL3MBTL1CHRM4HSD11B1
SCHEMBL14428325 0.87 KMT2A (0.55) PDE4BKMT2AL3MBTL1CHRM4HSD11B1
SCHEMBL1870753 0.86 MEN1 (0.48) KMT2ACHRM4MEN1NPSR1HTT
SCHEMBL4119155 0.85 PDE4B (0.45) PDE4BKMT2AL3MBTL1CHRM4HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
EP-2328890-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS Pfizer Inc. (US) 2011-06-08 EP disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 WO 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 (1 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-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB PDE4B 2660/4885KMT2A 2100/4885L3MBTL1 3479/4885

“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.