SCHEMBL1964023

SCHEMBL1964023

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(-n3cnc4ccccc43)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.47
USP30 Q70CQ3 3/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
PARP1 P09874 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
HPGDS O60760 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
SCHEMBL1964021 1.00 LCK (0.47) LCKUSP30IRAK4AURKAAURKB
SCHEMBL1924580 0.87 LCK (0.46) LCKIRAK4AURKAAURKB
SCHEMBL10239068 0.86 USP30 (0.38) USP30PARP1PIM1PIM2
SCHEMBL1964409 0.86 USP30 (0.38) USP30PARP1PIM1PIM2
SCHEMBL376401 0.85 PIK3CD (0.46) USP30IRAK4PIM1PIM2
SCHEMBL376431 0.85 PIK3CD (0.44) USP30IRAK4PARP1PIM1PIM2
SCHEMBL376486 0.84 PIK3CD (0.44) USP30IRAK4
SCHEMBL376742 0.84 IRAK4 (0.49) USP30IRAK4
SCHEMBL376653 0.83 PIK3CD (0.42) LCKUSP30IRAK4
Benzimidazole SCHEMBL1924578 0.80 IRAK4 (0.42) LCKIRAK4AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 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
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US 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 LCK 464/4885USP30 3137/4885IRAK4 816/4885

“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.