SCHEMBL376264

SCHEMBL376264

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(-c3cnc4cc(C(N)=O)ccn34)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.42
PARP1 P09874 1/20 0.41
PADI4 Q9UM07 4/20 0.41
USP30 Q70CQ3 2/20 0.41
CHEK2 O96017 2/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
NEK2 P51955 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL376077 0.92 USP30 (0.41) BTKPARP1PADI4USP30FGFR3
SCHEMBL426805 0.89 FLT3 (0.44) BTKUSP30FGFR3KDRHDAC4
SCHEMBL426804 0.89 FLT3 (0.44) BTKUSP30FGFR3KDRHDAC4
SCHEMBL15203511 0.88 IRAK4 (0.40) BTKIRAK4
SCHEMBL24975700 0.87 FLT3 (0.41) BTKPARP1USP30FGFR3KDR
SCHEMBL376256 0.86 IRAK4 (0.45) PARP1USP30HDAC4HDAC6IRAK4
SCHEMBL376257 0.86 IRAK4 (0.45) PARP1USP30HDAC4HDAC6IRAK4
SCHEMBL376678 0.86 IRAK4 (0.45) PARP1USP30HDAC4HDAC6IRAK4
SCHEMBL24231463 0.86 IRAK4 (0.48) BTKPARP1USP30IRAK4
SCHEMBL12552842 0.86 SYK (0.39) BTKPARP1PADI4USP30FGFR3

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 BTK 554/4885PARP1 1443/4885PADI4 4154/4885

“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.