SCHEMBL376718

SCHEMBL376718

c1cc2c(-c3cncc(N[C@@H]4CCCNC4)n3)cnn2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.45
CDK7 P50613 2/20 0.45
CCNH P51946 2/20 0.45
CDK2 P24941 2/20 0.45
CCNK O75909 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK9 P50750 1/20 0.45
MNAT1 P51948 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
PRKCZ Q05513 8/20 0.43
IRAK4 Q9NWZ3 4/20 0.42
FLT3 P36888 2/20 0.40
LCK P06239 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
BLK P51451 1/20 0.40
IRAK1 P51617 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39

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
SCHEMBL376719 1.00 CCNT1 (0.45) CCNT1CDK7CCNHCDK2CCNK
SCHEMBL376042 0.85 CCNT1 (0.61) CCNT1CDK7CCNHCDK2CCNK
SCHEMBL2361493 0.85 CCNT1 (0.61) CCNT1CDK7CCNHCDK2CCNK
SCHEMBL376412 0.84 CCNT1 (0.46) CCNT1CDK7CCNHCDK2CCNK
SCHEMBL15167165 0.84 CCNT1 (0.46) CCNT1CDK7CCNHCDK2CCNK
SCHEMBL10238356 0.84 IRAK4 (0.52) CCNT1CDK7CCNHCDK2CCNK
SCHEMBL10239873 0.84 CCNT1 (0.44) CCNT1CDK7CCNHCDK2CCNK
SCHEMBL376442 0.82 IRAK4 (0.53) CCNT1CDK7CCNHCDK2CCNK
SCHEMBL376393 0.81 NRAS (0.42) CCNT1CDK7CCNHCDK2CCNK
SCHEMBL10238301 0.81 NRAS (0.42) CCNT1CDK7CCNHCDK2CCNK

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 9 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
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 682/4885CDK7 314/4885CCNH 761/4885

“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.