SCHEMBL764535

SCHEMBL764535

CN[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
GAA P10253 2/20 0.46
EPHX1 P07099 2/20 0.45
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CTSK P43235 2/20 0.41
KDM1A O60341 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAOB P27338 1/20 0.39
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4088297 1.00 BTK (0.47) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL24062292 1.00 BTK (0.47) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL22475401 0.96 BTK (0.51) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL21253786 0.96 BTK (0.51) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL765253 0.93 BTK (0.53) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL19773841 0.93 BTK (0.53) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL12885089 0.93 BTK (0.53) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL12649367 0.89 BTK (0.57) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL16099696 0.89 BTK (0.57) BTKGAAEPHX1HDAC4HDAC6
SCHEMBL24062392 0.89 BTK (0.57) BTKGAAEPHX1HDAC4HDAC6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805940-B1 PYRAZINE CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-11-23 EP disclosed
US-9085540-B2 Pyrazinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2015-07-21 US disclosed
US-9085540-B2 Pyrazinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2015-07-21 US disclosed
EP-2805940-A1 PYRAZINE CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2014-11-26 EP disclosed
US-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-30 US disclosed
US-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-30 US disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (4 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 BTK 1597/4885GAA 4312/4885EPHX1 293/4885
US-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND EGFR, ERBB2, ALK BTK 95/4885GAA 4635/4885EPHX1 2749/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 BTK 1597/4885GAA 4312/4885EPHX1 293/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 BTK 1123/4885GAA 4278/4885EPHX1 225/4885

“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.