SCHEMBL376431

SCHEMBL376431

COc1cc2ncn(-c3cncc(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3)c2cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.44
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
JAK3 P52333 3/20 0.38
USP30 Q70CQ3 3/20 0.38
EHMT2 Q96KQ7 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PIK3CA P42336 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
GABRA5 P31644 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
PARP1 P09874 1/20 0.36
DYRK1A Q13627 1/20 0.35
MTOR P42345 1/20 0.35
PRKDC P78527 1/20 0.35

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
SCHEMBL376401 0.94 PIK3CD (0.46) PIK3CDJAK2JAK1JAK3USP30
SCHEMBL10239068 0.90 USP30 (0.38) PIK3CDJAK2JAK3USP30GPR119
SCHEMBL15203512 0.90 JAK2 (0.40) JAK2JAK1JAK3IRAK4
SCHEMBL1964023 0.85 LCK (0.47) USP30PIM1PIM2IRAK4PARP1
SCHEMBL1964021 0.85 LCK (0.47) USP30PIM1PIM2IRAK4PARP1
SCHEMBL1964409 0.85 USP30 (0.38) PIK3CDJAK2JAK3USP30GPR119
SCHEMBL3230085 0.83 EGFR (0.39) PIK3CDJAK2JAK1JAK3IRAK4
SCHEMBL376742 0.83 IRAK4 (0.49) PIK3CDJAK2JAK3USP30PIK3CA
SCHEMBL376486 0.80 PIK3CD (0.44) PIK3CDJAK2JAK1JAK3USP30
SCHEMBL376458 0.80 GPR119 (0.37) PIK3CDJAK2JAK3USP30GPR119

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 6 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
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 PIK3CD 394/4885JAK2 1001/4885JAK1 631/4885

“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.