SCHEMBL10239882

SCHEMBL10239882

Cc1ncc(N[C@@H]2CCCNC2)nc1-c1cnc2ccccn12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.69
FLT3 P36888 6/20 0.53
CDK7 P50613 2/20 0.51
CCNH P51946 2/20 0.51
IRAK1 P51617 2/20 0.51
LCK P06239 1/20 0.51
RET P07949 1/20 0.51
PDGFRB P09619 1/20 0.51
BLK P51451 1/20 0.51
SRPK1 Q96SB4 1/20 0.51
MAPK8 P45983 1/20 0.48
CCNT1 O60563 1/20 0.44
CCNK O75909 1/20 0.44
CDK9 P50750 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
NRAS P01111 3/20 0.44
IGF1R P08069 1/20 0.43
CDK2 P24941 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL10239524 0.94 IRAK4 (0.68) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL25988670 0.88 IRAK4 (0.72) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL10238510 0.88 IRAK4 (0.69) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL376027 0.86 IRAK4 (0.66) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL376793 0.84 IRAK4 (0.69) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL376279 0.83 IRAK4 (0.79) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL384845 0.83 IRAK4 (0.79) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL13494351 0.82 IRAK4 (0.68) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL22145804 0.82 IRAK4 (1.00) IRAK4FLT3CDK7CCNHIRAK1
SCHEMBL10238531 0.80 IRAK4 (0.64) IRAK4FLT3CDK7CCNHIRAK1

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 IRAK4 816/4885FLT3 496/4885CDK7 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.