SCHEMBL376522

SCHEMBL376522

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(-c3cnn4cc(Cl)ccc34)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.40
JAK3 P52333 13/20 0.40
JAK2 O60674 12/20 0.40
ALOX5 P09917 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
USP30 Q70CQ3 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 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
SCHEMBL376523 1.00 JAK1 (0.40) JAK1JAK3JAK2ALOX5CNR1
SCHEMBL376492 0.88 JAK2 (0.42) JAK1JAK3JAK2PIM1PIM2
SCHEMBL1922865 0.88 JAK2 (0.42) JAK1JAK3JAK2PIM1PIM2
SCHEMBL15167662 0.87 JAK2 (0.54) JAK1JAK3JAK2
SCHEMBL376478 0.87 JAK2 (0.41) JAK1JAK3JAK2USP30BTK
SCHEMBL15167665 0.87 JAK2 (0.54) JAK1JAK3JAK2
SCHEMBL376477 0.87 JAK2 (0.41) JAK1JAK3JAK2USP30BTK
SCHEMBL15167380 0.84 JAK2 (0.42) JAK1JAK3JAK2USP30PIM1
SCHEMBL15167383 0.84 JAK2 (0.42) JAK1JAK3JAK2USP30PIM1
SCHEMBL376422 0.82 FLT3 (0.53) ALOX5EGFRBTK

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 7 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
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
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 JAK1 631/4885JAK3 1841/4885JAK2 1001/4885

“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.