SCHEMBL376301

SCHEMBL376301

COc1ncc(-c2cnc3ccccn23)nc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
GFER P55789 1/20 0.42
PIK3CA P42336 1/20 0.41
USP30 Q70CQ3 4/20 0.41
MAPK10 P53779 2/20 0.41
JUN P05412 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
JAK2 O60674 3/20 0.41
JAK3 P52333 3/20 0.41
JAK1 P23458 2/20 0.41
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
BTK Q06187 1/20 0.40
IGF1R P08069 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL376791 0.91 PIM1 (0.46) GFERUSP30MAPK10JUNCDK2
SCHEMBL3230923 0.90 GFER (0.45) GFERMAPK10JUNCDK2MAPK8
SCHEMBL376257 0.85 IRAK4 (0.45) GFERUSP30MAPK10JUNCDK2
SCHEMBL376256 0.85 IRAK4 (0.45) GFERUSP30MAPK10JUNCDK2
SCHEMBL376678 0.85 IRAK4 (0.45) GFERUSP30MAPK10JUNCDK2
SCHEMBL12553187 0.81 IRAK4 (0.41) GFERPIK3CAMAPK10JUNCDK2
SCHEMBL10239065 0.80 MAPK8 (0.48) USP30MAPK10JUNCDK2MAPK8
SCHEMBL24231865 0.80 IRAK4 (0.56) USP30MAPK10JUNCDK2MAPK8
SCHEMBL376383 0.79 PIK3CA (0.48) PIK3CDPIK3CAUSP30PIM1PIM2
SCHEMBL15203526 0.79 GFER (0.47) GFERMAPK10JUNCDK2MAPK8

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
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 PIK3CD 394/4885GFER 4841/4885PIK3CA 393/4885

“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.