SCHEMBL376370

SCHEMBL376370

FC1CNCC1Nc1cncc(-c2cnn3ccccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.42
CDK12 Q9NYV4 2/20 0.42
CDK2 P24941 2/20 0.42
CCNT1 O60563 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
PIM1 P11309 4/20 0.41
PIM2 Q9P1W9 4/20 0.41
PIM3 Q86V86 3/20 0.41
DYRK1A Q13627 5/20 0.39
CLK2 P49760 2/20 0.39
CLK3 P49761 2/20 0.39
GSK3B P49841 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
SSTR4 P31391 1/20 0.36

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
SCHEMBL376352 1.00 CCNK (0.42) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL376351 1.00 CCNK (0.42) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL2361856 0.91 CDK2 (0.44) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL2361858 0.91 CDK2 (0.44) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL10238358 0.87 DYRK1A (0.44) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL10239099 0.82 CDK7 (0.44) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL10239486 0.80 CDK2 (0.53) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL24574012 0.79 FLT3 (0.50) CDK7CCNHFLT3IRAK4
SCHEMBL27368973 0.79 FLT3 (0.50) CDK7CCNHFLT3IRAK4
SCHEMBL2361493 0.79 CCNT1 (0.61) CCNKCDK12CDK2CCNT1CCNE1

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 CCNK 55/4885CDK12 363/4885CDK2 157/4885

“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.