SCHEMBL376070

SCHEMBL376070

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(-c3nnc4ccccn34)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.43
PIM1 P11309 3/20 0.40
PIM2 Q9P1W9 3/20 0.40
PARP1 P09874 1/20 0.40
METTL3 Q86U44 1/20 0.39
BTK Q06187 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GFER P55789 1/20 0.39
GABRA5 P31644 1/20 0.38
MET P08581 1/20 0.38
BRD4 O60885 1/20 0.38
APLNR P35414 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
SCHEMBL376257 0.88 IRAK4 (0.45) USP30PARP1METTL3HDAC4HDAC6
SCHEMBL376256 0.88 IRAK4 (0.45) USP30PARP1METTL3HDAC4HDAC6
SCHEMBL376678 0.88 IRAK4 (0.45) USP30PARP1METTL3HDAC4HDAC6
SCHEMBL15203427 0.87 MAPK8 (0.41) PIM1PIM2BTKGFER
SCHEMBL10239065 0.82 MAPK8 (0.48) USP30BTK
SCHEMBL15167662 0.81 JAK2 (0.54)
SCHEMBL15167665 0.81 JAK2 (0.54)
SCHEMBL15446168 0.79 USP30 (0.46) USP30PIM1PIM2PARP1BTK
SCHEMBL12552842 0.78 SYK (0.39) USP30PIM1PIM2PARP1BTK
SCHEMBL426804 0.77 FLT3 (0.44) USP30PIM1PIM2BTKHDAC4

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 6 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
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 3137/4885PIM1 358/4885PIM2 369/4885

“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.