SCHEMBL376401

SCHEMBL376401

COc1cc2c(cn1)ncn2-c1cncc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
USP30 Q70CQ3 3/20 0.38
EHMT2 Q96KQ7 1/20 0.38
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
PIK3CA P42336 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
EGFR P00533 2/20 0.37
BTK Q06187 1/20 0.37
ITK Q08881 1/20 0.37
JAK2 O60674 3/20 0.37
JAK3 P52333 3/20 0.37
JAK1 P23458 2/20 0.37
CYP2C9 P11712 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GABRA5 P31644 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL376431 0.94 PIK3CD (0.44) PIK3CDUSP30EHMT2PIM1PIM2
SCHEMBL1964409 0.90 USP30 (0.38) PIK3CDUSP30PIM1PIM2GPR119
SCHEMBL3230085 0.90 EGFR (0.39) PIK3CDEGFRBTKITKJAK2
SCHEMBL1964023 0.85 LCK (0.47) USP30PIM1PIM2IRAK4
SCHEMBL1964021 0.85 LCK (0.47) USP30PIM1PIM2IRAK4
SCHEMBL10239068 0.85 USP30 (0.38) PIK3CDUSP30PIM1PIM2GPR119
SCHEMBL376742 0.84 IRAK4 (0.49) PIK3CDUSP30PIK3CAJAK2JAK3
SCHEMBL15203512 0.83 JAK2 (0.40) EGFRBTKITKJAK2JAK3
SCHEMBL376486 0.82 PIK3CD (0.44) PIK3CDUSP30PIK3CAGPR119BTK
SCHEMBL384434 0.79 USP30 (0.33) PIK3CDUSP30PIM1PIM2BTK

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 394/4885USP30 3137/4885EHMT2 2808/4885

“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.