SCHEMBL376772

SCHEMBL376772

CC1(COc2ccc(Nc3cncc(Cl)n3)c(N)c2)COC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.39
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
EGFR P00533 1/20 0.36
FLT3 P36888 8/20 0.36
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
AKT1 P31749 1/20 0.36
DHFR P00374 1/20 0.35
DCPS Q96C86 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CACNA1H O95180 2/20 0.35
CDK2 P24941 1/20 0.34

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
SCHEMBL10239803 0.85 CHEK1 (0.36) BACE1PDE2APDE10AFLT3CHEK1
SCHEMBL376452 0.83 MAPT (0.38) PDE2APDE10ACHEK1CHEK2AKT1
SCHEMBL25256213 0.74 FLT3 (0.41) BACE1PDE2APDE10AFLT3DHFR
SCHEMBL375935 0.69 FLT3 (0.53) BACE1PDE2APDE10AFLT3CDK2
SCHEMBL16634654 0.68 GAA (0.44) NPC1RAB9ACACNA1H
SCHEMBL26956582 0.67 PIK3CA (0.39) BACE1PDE2APDE10AFLT3DHFR
SCHEMBL25298795 0.67 FLT3 (0.39) FLT3DHFRDCPSCACNA1HCDK2
SCHEMBL21617085 0.67 PDE2A (0.41) PDE2APDE10AFLT3DHFRDCPS
SCHEMBL30764823 0.67 PDE2A (0.41) PDE2APDE10AFLT3DHFRDCPS
SCHEMBL9935890 0.66 ACACB (0.50) BACE1PDE2APDE10AFLT3DHFR

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 8 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
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
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
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 BACE1 3549/4885PDE2A 2458/4885PDE10A 3102/4885

“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.