SCHEMBL376240

SCHEMBL376240

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
PIK3CD O00329 3/20 0.35
ALDH1A1 P00352 1/20 0.34
RIPK1 Q13546 1/20 0.33
DPP4 P27487 7/20 0.32
DPP8 Q6V1X1 7/20 0.32
DPP9 Q86TI2 7/20 0.32
PDK1 Q15118 2/20 0.30
DPP7 Q9UHL4 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
FAP Q12884 1/20 0.30
MMP2 P08253 1/20 0.30
ANPEP P15144 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
SCHEMBL29243217 1.00 ATM (0.41) ATMPIK3CDALDH1A1RIPK1DPP4
SCHEMBL3950963 1.00 ATM (0.41) ATMPIK3CDALDH1A1RIPK1DPP4
SCHEMBL26906984 1.00 ATM (0.41) ATMPIK3CDALDH1A1RIPK1DPP4
SCHEMBL3469309 1.00 ATM (0.41) ATMPIK3CDALDH1A1RIPK1DPP4
SCHEMBL21959477 0.86 ATM (0.49) ATMPIK3CDALDH1A1RIPK1DPP4
SCHEMBL14426631 0.86 ATM (0.49) ATMPIK3CDALDH1A1RIPK1DPP4
SCHEMBL18516314 0.86 ATM (0.49) ATMPIK3CDALDH1A1RIPK1DPP4
SCHEMBL18426689 0.85 ATM (0.36) ATMPIK3CDALDH1A1RIPK1
SCHEMBL22557040 0.84 MMP2 (0.42) DPP4DPP8MMP2ANPEP
SCHEMBL3955349 0.84 MMP2 (0.42) DPP4DPP8MMP2ANPEP

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 3 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

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 1181/4885PIK3CD 394/4885ALDH1A1 2651/4885

“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.