SCHEMBL376963

SCHEMBL376963

CCOc1ncc2c(ncn2-c2cncc(N[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3OC)n2)c1Br

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.35
GPR119 Q8TDV5 3/20 0.35
ADORA1 P30542 1/20 0.33
USP30 Q70CQ3 1/20 0.32
PIK3CA P42336 1/20 0.32
PRKDC P78527 1/20 0.32

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
SCHEMBL12583730 0.91 JAK3 (0.33)
SCHEMBL376458 0.84 GPR119 (0.37) PIK3CDGPR119ADORA1USP30PIK3CA
SCHEMBL376742 0.68 IRAK4 (0.49) PIK3CDUSP30PIK3CAPRKDC
SCHEMBL376486 0.67 PIK3CD (0.44) PIK3CDGPR119USP30PIK3CA
SCHEMBL376431 0.67 PIK3CD (0.44) PIK3CDGPR119USP30PIK3CAPRKDC
SCHEMBL10238544 0.67 MEN1 (0.32)
SCHEMBL1964021 0.66 LCK (0.47) USP30
SCHEMBL1964023 0.66 LCK (0.47) USP30
SCHEMBL10239068 0.66 USP30 (0.38) PIK3CDGPR119ADORA1USP30
SCHEMBL376401 0.65 PIK3CD (0.46) PIK3CDGPR119USP30PIK3CA

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
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US 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
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 394/4885GPR119 1384/4885ADORA1 3729/4885

“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.