SCHEMBL377033

SCHEMBL377033

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.46
PBK Q96KB5 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PARP1 P09874 1/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
BTK Q06187 2/20 0.42
CYP2C9 P11712 1/20 0.41
PIK3CD O00329 1/20 0.41
EPHX1 P07099 1/20 0.40
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
TRPV3 Q8NET8 1/20 0.40
IGF1R P08069 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
SCHEMBL29682469 1.00 USP30 (0.46) USP30PBKHDAC4HDAC6PARP1
SCHEMBL22431488 0.94 USP30 (0.48) USP30HDAC4HDAC6PARP1FPR3
SCHEMBL30091793 0.94 USP30 (0.48) USP30HDAC4HDAC6PARP1FPR3
SCHEMBL22400961 0.89 EHMT2 (0.42) USP30FPR3FPR2BTK
SCHEMBL30313805 0.89 EHMT2 (0.42) USP30FPR3FPR2BTK
SCHEMBL15446168 0.88 USP30 (0.46) USP30HDAC4HDAC6PARP1FPR3
SCHEMBL21717744 0.88 USP30 (0.52) USP30PBKHDAC4HDAC6PARP1
SCHEMBL21717745 0.88 USP30 (0.52) USP30PBKHDAC4HDAC6PARP1
SCHEMBL376546 0.87 USP30 (0.46) USP30HDAC4HDAC6PARP1BTK
SCHEMBL376545 0.87 USP30 (0.46) USP30HDAC4HDAC6PARP1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 USP30 3137/4885PBK 282/4885HDAC4 1035/4885

“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.