SCHEMBL1964409

SCHEMBL1964409

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(-n3cnc4cnc(Cl)cc43)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.38
PIK3CD O00329 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
JAK3 P52333 2/20 0.37
JAK2 O60674 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
CYP2C9 P11712 1/20 0.37
BTK Q06187 2/20 0.36
IGF1R P08069 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PARP1 P09874 1/20 0.36
ADORA1 P30542 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL10239068 0.94 USP30 (0.38) USP30PIK3CDCNR1CNR2PIM1
SCHEMBL376401 0.90 PIK3CD (0.46) USP30PIK3CDPIM1PIM2JAK3
SCHEMBL384434 0.88 USP30 (0.33) USP30PIK3CDCNR1CNR2PIM1
SCHEMBL15203444 0.88 CCNK (0.38) JAK3JAK2BTK
SCHEMBL1964021 0.86 LCK (0.47) USP30PIM1PIM2PARP1
SCHEMBL1964023 0.86 LCK (0.47) USP30PIM1PIM2PARP1
SCHEMBL376431 0.85 PIK3CD (0.44) USP30PIK3CDPIM1PIM2JAK3
SCHEMBL376486 0.82 PIK3CD (0.44) USP30PIK3CDJAK3JAK2BTK
SCHEMBL376742 0.82 IRAK4 (0.49) USP30PIK3CDJAK3JAK2
SCHEMBL376545 0.81 USP30 (0.46) USP30PIK3CDCNR1CNR2JAK3

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
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 3137/4885PIK3CD 394/4885CNR1 614/4885

“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.