SCHEMBL376532

SCHEMBL376532

CC(C)(C)OC(=O)N1CCCC(Nc2cncc(-c3cnn4cccnc34)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
JAK2 O60674 12/20 0.43
JAK3 P52333 12/20 0.43
JAK1 P23458 10/20 0.43
IRAK4 Q9NWZ3 2/20 0.42
USP30 Q70CQ3 2/20 0.41
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL376531 1.00 PIK3CD (0.51) PIK3CDJAK2JAK3JAK1IRAK4
SCHEMBL15167662 0.86 JAK2 (0.54) JAK2JAK3JAK1
SCHEMBL15167665 0.86 JAK2 (0.54) JAK2JAK3JAK1
SCHEMBL15167380 0.85 JAK2 (0.42) JAK2JAK3JAK1USP30PIM1
SCHEMBL15167383 0.85 JAK2 (0.42) JAK2JAK3JAK1USP30PIM1
SCHEMBL376478 0.83 JAK2 (0.41) JAK2JAK3JAK1USP30PIM1
SCHEMBL376477 0.83 JAK2 (0.41) JAK2JAK3JAK1USP30PIM1
SCHEMBL376523 0.80 JAK1 (0.40) JAK2JAK3JAK1USP30PIM1
SCHEMBL376522 0.80 JAK1 (0.40) JAK2JAK3JAK1USP30PIM1
SCHEMBL12552842 0.78 SYK (0.39) JAK2JAK3USP30PIM1PIM2

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
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US 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
EP-2328890-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS Pfizer Inc. (US) 2011-06-08 EP 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 PIK3CD 394/4885JAK2 1001/4885JAK3 1841/4885

“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.