SCHEMBL10239478

SCHEMBL10239478

Cc1cn2c(-c3cncc(N[C@@H]4CC[C@H](C)NC4)n3)cnc2s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.33
IRAK4 Q9NWZ3 7/20 0.33
CDK7 P50613 2/20 0.33
CCNH P51946 2/20 0.33
CLK2 P49760 2/20 0.33
CLK3 P49761 2/20 0.33
DYRK1A Q13627 2/20 0.33
CHEK1 O14757 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCNK O75909 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
NRAS P01111 4/20 0.33
IRAK1 P51617 2/20 0.32
LCK P06239 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
BLK P51451 1/20 0.32
SRPK1 Q96SB4 1/20 0.32
PIM1 P11309 2/20 0.31

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
SCHEMBL10239806 1.00 FLT3 (0.33) FLT3IRAK4CDK7CCNHCLK2
SCHEMBL10239833 0.91 FLT3 (0.34) FLT3IRAK4NRASPIM1PIM3
SCHEMBL10238360 0.88 CHEK1 (0.32) FLT3IRAK4CDK7CCNHCLK2
SCHEMBL10239818 0.88 CHEK1 (0.32) FLT3IRAK4CDK7CCNHCLK2
SCHEMBL10239840 0.87 DYRK1A (0.32) FLT3IRAK4CDK7CCNHCLK2
SCHEMBL376166 0.87 DYRK1A (0.32) FLT3IRAK4CDK7CCNHCLK2
SCHEMBL1965360 0.84 FLT3 (0.47) FLT3IRAK4CDK7CCNHCHEK1
SCHEMBL10239100 0.82 FLT3 (0.32) FLT3IRAK4CDK7CLK2CLK3
SCHEMBL376409 0.81 IL1B (0.34) FLT3IRAK4CDK7CCNHCLK2
SCHEMBL376822 0.81 IL1B (0.34) FLT3IRAK4CDK7CCNHCLK2

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 FLT3 496/4885IRAK4 816/4885CDK7 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.