SCHEMBL10239084

SCHEMBL10239084

c1cnc2c(-c3cncc(N[C@@H]4CCNC4)n3)cnn2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.44
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
PIM3 Q86V86 1/20 0.42
FLT3 P36888 6/20 0.40
NRAS P01111 4/20 0.40
IRAK1 P51617 3/20 0.40
CDK7 P50613 2/20 0.39
CCNH P51946 2/20 0.39
CDK2 P24941 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNK O75909 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK9 P50750 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
RET P07949 2/20 0.39
PCSK9 Q8NBP7 3/20 0.39
KCNH2 Q12809 2/20 0.39
LCK P06239 1/20 0.38

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
SCHEMBL376249 0.94 CCNT1 (0.46) IRAK4PIM1PIM2PIM3FLT3
SCHEMBL10239486 0.82 CDK2 (0.53) IRAK4PIM1PIM2PIM3FLT3
SCHEMBL2361493 0.76 CCNT1 (0.61) IRAK4PIM1PIM2PIM3FLT3
SCHEMBL376042 0.76 CCNT1 (0.61) IRAK4PIM1PIM2PIM3FLT3
SCHEMBL15167165 0.74 CCNT1 (0.46) IRAK4PIM1PIM2PIM3FLT3
SCHEMBL376412 0.74 CCNT1 (0.46) IRAK4PIM1PIM2PIM3FLT3
SCHEMBL1923562 0.74 FLT3 (0.50) IRAK4PIM1PIM2PIM3FLT3
SCHEMBL10238545 0.73 CCNT1 (0.45) IRAK4FLT3IRAK1CDK7CCNH
SCHEMBL24542358 0.72 IRAK4 (0.55) IRAK4FLT3NRASIRAK1CDK7
SCHEMBL376718 0.72 CCNT1 (0.45) IRAK4PIM1PIM2PIM3FLT3

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 816/4885PIM1 358/4885PIM2 369/4885

“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.