SCHEMBL376791

SCHEMBL376791

Cc1ncc(-c2cnc3ccccn23)nc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.46
PIM2 Q9P1W9 4/20 0.46
GFER P55789 1/20 0.43
USP30 Q70CQ3 4/20 0.42
MAPK10 P53779 2/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
JUN P05412 1/20 0.42
CDK2 P24941 1/20 0.42
BTK Q06187 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
JAK3 P52333 4/20 0.40
JAK2 O60674 2/20 0.40
PARP1 P09874 1/20 0.40
GABRA5 P31644 1/20 0.39
EGFR P00533 1/20 0.39
ITK Q08881 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
SCHEMBL376301 0.91 PIK3CD (0.42) PIM1PIM2GFERUSP30MAPK10
SCHEMBL15203526 0.88 GFER (0.47) GFERMAPK10MAPK8MAPK9JUN
SCHEMBL376257 0.87 IRAK4 (0.45) GFERUSP30MAPK10MAPK8MAPK9
SCHEMBL376678 0.87 IRAK4 (0.45) GFERUSP30MAPK10MAPK8MAPK9
SCHEMBL376256 0.87 IRAK4 (0.45) GFERUSP30MAPK10MAPK8MAPK9
SCHEMBL10239065 0.82 MAPK8 (0.48) USP30MAPK10MAPK8MAPK9JUN
SCHEMBL24231865 0.81 IRAK4 (0.56) USP30MAPK10MAPK8MAPK9JUN
SCHEMBL376237 0.80 GFER (0.41) GFERUSP30MAPK10MAPK8MAPK9
SCHEMBL3230923 0.79 GFER (0.45) GFERMAPK10MAPK8MAPK9JUN
SCHEMBL376070 0.76 USP30 (0.43) PIM1PIM2GFERUSP30BTK

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 PIM1 358/4885PIM2 369/4885GFER 4841/4885

“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.