SCHEMBL376249

SCHEMBL376249

c1cnc2c(-c3cncc(N[C@@H]4CCCNC4)n3)cnn2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.46
CDK2 P24941 2/20 0.46
CDK7 P50613 2/20 0.46
CCNH P51946 2/20 0.46
CCNK O75909 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK9 P50750 1/20 0.46
MNAT1 P51948 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
IRAK4 Q9NWZ3 5/20 0.46
PCSK9 Q8NBP7 8/20 0.43
KCNH2 Q12809 3/20 0.43
CHEK1 O14757 1/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 1/20 0.43
FLT3 P36888 2/20 0.42
PRKCZ Q05513 1/20 0.42
LCK P06239 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL10239084 0.94 IRAK4 (0.44) CCNT1CDK2CDK7CCNHCCNK
SCHEMBL376042 0.82 CCNT1 (0.61) CCNT1CDK2CDK7CCNHCCNK
SCHEMBL2361493 0.82 CCNT1 (0.61) CCNT1CDK2CDK7CCNHCCNK
SCHEMBL15167165 0.81 CCNT1 (0.46) CCNT1CDK2CDK7CCNHCCNK
SCHEMBL376412 0.81 CCNT1 (0.46) CCNT1CDK2CDK7CCNHCCNK
SCHEMBL10238545 0.80 CCNT1 (0.45) CCNT1CDK2CDK7CCNHCCNK
SCHEMBL376718 0.78 CCNT1 (0.45) CCNT1CDK2CDK7CCNHCCNK
SCHEMBL376719 0.78 CCNT1 (0.45) CCNT1CDK2CDK7CCNHCCNK
SCHEMBL10239486 0.76 CDK2 (0.53) CCNT1CDK2CDK7CCNHCCNK
SCHEMBL10239873 0.75 CCNT1 (0.44) CCNT1CDK2CDK7CCNHCCNK

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 CCNT1 682/4885CDK2 157/4885CDK7 314/4885

“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.