SCHEMBL376545

SCHEMBL376545

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(Cl)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.46
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PARP1 P09874 1/20 0.44
BTK Q06187 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 2/20 0.41
EHMT2 Q96KQ7 1/20 0.41
JAK3 P52333 1/20 0.41
CYP2C9 P11712 1/20 0.41
PIK3CD O00329 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL376546 1.00 USP30 (0.46) USP30HDAC4HDAC6PARP1BTK
SCHEMBL38665448 0.94 USP30 (0.48) USP30HDAC4HDAC6PARP1BTK
SCHEMBL376080 0.94 USP30 (0.48) USP30HDAC4HDAC6PARP1BTK
SCHEMBL376081 0.94 USP30 (0.48) USP30HDAC4HDAC6PARP1BTK
SCHEMBL22404953 0.89 EHMT2 (0.45) USP30BTKALDH1A1EHMT2MEN1
SCHEMBL15446168 0.88 USP30 (0.46) USP30HDAC4HDAC6PARP1BTK
SCHEMBL377033 0.87 USP30 (0.46) USP30HDAC4HDAC6PARP1BTK
SCHEMBL29682469 0.87 USP30 (0.46) USP30HDAC4HDAC6PARP1BTK
SCHEMBL29682503 0.87 PARP1 (0.48) USP30HDAC4HDAC6PARP1BTK
SCHEMBL3504310 0.87 ALDH1A1 (0.55) CNR1ALDH1A1EHMT2EPHX1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
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
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
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US 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
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 (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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 USP30 3521/4885HDAC4 1538/4885HDAC6 1073/4885
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB USP30 3137/4885HDAC4 1035/4885HDAC6 838/4885

“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.