SCHEMBL10239486

SCHEMBL10239486

c1ccn2ncc(-c3cncc(N[C@@H]4CCNC4)n3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.53
CCNT1 O60563 1/20 0.53
CCNK O75909 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53
CCNH P51946 1/20 0.53
MNAT1 P51948 1/20 0.53
CDK12 Q9NYV4 1/20 0.53
IRAK4 Q9NWZ3 7/20 0.49
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
PIM3 Q86V86 1/20 0.43
FLT3 P36888 4/20 0.40
NRAS P01111 2/20 0.40
IRAK1 P51617 1/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
JAK3 P52333 3/20 0.40
DYRK1A Q13627 2/20 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
SCHEMBL376042 0.94 CCNT1 (0.61) CDK2CCNT1CCNKCCNE1CDK7
SCHEMBL2361493 0.94 CCNT1 (0.61) CDK2CCNT1CCNKCCNE1CDK7
SCHEMBL2361858 0.86 CDK2 (0.44) CDK2CCNT1CCNKCCNE1CDK7
SCHEMBL10239099 0.86 CDK7 (0.44) CDK2CCNT1CCNKCCNE1CDK7
SCHEMBL2361856 0.86 CDK2 (0.44) CDK2CCNT1CCNKCCNE1CDK7
SCHEMBL28135187 0.84 CCNT1 (0.46) CDK2CCNT1CCNKCCNE1CDK7
SCHEMBL28135186 0.84 CCNT1 (0.46) CDK2CCNT1CCNKCCNE1CDK7
SCHEMBL1923562 0.83 FLT3 (0.50) CDK2CCNT1CCNKCCNE1CDK7
SCHEMBL3467265 0.82 IRAK4 (0.58) CDK2CCNT1CCNKCCNE1CDK7
SCHEMBL10239084 0.82 IRAK4 (0.44) CDK2CCNT1CCNKCCNE1CDK7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CDK2 157/4885CCNT1 682/4885CCNK 55/4885

“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.