SCHEMBL376313

SCHEMBL376313

CCOC[C@@H]1C[C@H](O)CN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
RIPK1 Q13546 1/20 0.35
PIK3CD O00329 2/20 0.33
PDK1 Q15118 1/20 0.33
DPP4 P27487 4/20 0.30
DPP8 Q6V1X1 4/20 0.30
DPP9 Q86TI2 4/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4303400 1.00 ATM (0.39) ATMRIPK1PIK3CDPDK1DPP4
SCHEMBL23136538 0.87 ATM (0.46) ATMRIPK1PIK3CDPDK1DPP4
SCHEMBL29243192 0.85 ATM (0.34) ATMRIPK1PIK3CDPDK1DPP4
SCHEMBL29243194 0.85 ATM (0.34) ATMRIPK1PIK3CDPDK1DPP4
SCHEMBL4296899 0.85 MMP2 (0.37) PDK1
SCHEMBL376752 0.85 MMP2 (0.37) PDK1
SCHEMBL3469309 0.83 ATM (0.41) ATMRIPK1PIK3CDPDK1DPP4
SCHEMBL376240 0.83 ATM (0.41) ATMRIPK1PIK3CDPDK1DPP4
SCHEMBL3950963 0.83 ATM (0.41) ATMRIPK1PIK3CDPDK1DPP4
SCHEMBL29243217 0.83 ATM (0.41) ATMRIPK1PIK3CDPDK1DPP4

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 ATM 1181/4885RIPK1 517/4885PIK3CD 394/4885

“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.