SCHEMBL376822

SCHEMBL376822

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.34
CHEK1 O14757 2/20 0.33
CDK7 P50613 2/20 0.33
CCNH P51946 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNK O75909 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
KCNH2 Q12809 1/20 0.33
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
IRAK4 Q9NWZ3 3/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
DYRK1A Q13627 1/20 0.31
LCK P06239 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
SCHEMBL376409 1.00 IL1B (0.34) IL1BCHEK1CDK7CCNHCCNT1
SCHEMBL10239855 1.00 IL1B (0.34) IL1BCHEK1CDK7CCNHCCNT1
SCHEMBL10238370 1.00 IL1B (0.34) IL1BCHEK1CDK7CCNHCCNT1
SCHEMBL10239862 0.87 CHEK1 (0.32) IL1BCHEK1CDK7CCNHCCNT1
SCHEMBL10239090 0.87 CHEK1 (0.32) IL1BCHEK1CDK7CCNHCCNT1
SCHEMBL1923491 0.87 CHEK1 (0.32) IL1BCHEK1CDK7CCNHCCNT1
SCHEMBL1922478 0.87 CHEK1 (0.32) IL1BCHEK1CDK7CCNHCCNT1
SCHEMBL10238361 0.87 CHEK1 (0.32) IL1BCHEK1CDK7CCNHCCNT1
SCHEMBL10239498 0.87 CHEK1 (0.32) IL1BCHEK1CDK7CCNHCCNT1
SCHEMBL376763 0.83 FLT3 (0.35) PIM1PIM3PIM2IRAK4CLK2

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 5 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
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 IL1B 2055/4885CHEK1 56/4885CDK7 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.