SCHEMBL10239498

SCHEMBL10239498

CCc1cn2c(-c3cncc(N[C@@H]4CCCN[C@H]4C)n3)cnc2s1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.32
KCNH2 Q12809 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
IL1B P01584 2/20 0.31
DGAT2 Q96PD7 1/20 0.31
IKBKB O14920 1/20 0.30
CDK2 P24941 2/20 0.30
CDK9 P50750 2/20 0.30
CCNT1 O60563 1/20 0.30
CCNK O75909 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK7 P50613 1/20 0.30
CCNH P51946 1/20 0.30
MNAT1 P51948 1/20 0.30
CDK12 Q9NYV4 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
GAS6 Q14393 1/20 0.30

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
SCHEMBL10238361 1.00 CHEK1 (0.32) CHEK1KCNH2IRAK4IL1BDGAT2
SCHEMBL10239090 1.00 CHEK1 (0.32) CHEK1KCNH2IRAK4IL1BDGAT2
SCHEMBL376409 0.87 IL1B (0.34) CHEK1KCNH2IRAK4IL1BCDK2
SCHEMBL10239855 0.87 IL1B (0.34) CHEK1KCNH2IRAK4IL1BCDK2
SCHEMBL10238370 0.87 IL1B (0.34) CHEK1KCNH2IRAK4IL1BCDK2
SCHEMBL376822 0.87 IL1B (0.34) CHEK1KCNH2IRAK4IL1BCDK2
SCHEMBL1923491 0.85 CHEK1 (0.32) CHEK1KCNH2IRAK4IL1BIKBKB
SCHEMBL1922478 0.85 CHEK1 (0.32) CHEK1KCNH2IRAK4IL1BIKBKB
SCHEMBL10239862 0.85 CHEK1 (0.32) CHEK1KCNH2IRAK4IL1BIKBKB
SCHEMBL10239812 0.84 FLT3 (0.45) CHEK1IRAK4CCNT1CDK7CCNH

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 CHEK1 56/4885KCNH2 719/4885IRAK4 816/4885

“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.