SCHEMBL376237

SCHEMBL376237

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cnc(C#N)c(-c3cnc4ccccn34)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.41
USP30 Q70CQ3 3/20 0.40
JAK3 P52333 4/20 0.40
BTK Q06187 2/20 0.40
CDK2 P24941 3/20 0.40
IGF1R P08069 1/20 0.40
JUN P05412 2/20 0.39
MAPK8 P45983 2/20 0.39
MAPK9 P45984 2/20 0.39
PARP1 P09874 1/20 0.39
MAPK10 P53779 2/20 0.39
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
EGLN2 Q96KS0 1/20 0.38
GABRA5 P31644 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38

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
SCHEMBL10238508 0.89 GFER (0.45) GFERJAK3CDK2IGF1RJUN
SCHEMBL1922833 0.88 GFER (0.43) GFERJAK3CDK2IGF1RJUN
SCHEMBL376678 0.84 IRAK4 (0.45) GFERUSP30CDK2JUNMAPK8
SCHEMBL376256 0.84 IRAK4 (0.45) GFERUSP30CDK2JUNMAPK8
SCHEMBL376257 0.84 IRAK4 (0.45) GFERUSP30CDK2JUNMAPK8
SCHEMBL376791 0.80 PIM1 (0.46) GFERUSP30JAK3BTKCDK2
SCHEMBL376770 0.80 BTK (0.58) USP30JAK3BTKPARP1EGFR
SCHEMBL18296204 0.80 BTK (0.58) USP30JAK3BTKPARP1EGFR
SCHEMBL10239065 0.79 MAPK8 (0.48) USP30BTKCDK2JUNMAPK8
SCHEMBL376301 0.79 PIK3CD (0.42) GFERUSP30JAK3BTKCDK2

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 GFER 4841/4885USP30 3137/4885JAK3 1841/4885

“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.