SCHEMBL10239796

SCHEMBL10239796

C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.50
USP30 Q70CQ3 2/20 0.49
CPB1 P15086 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSK P43235 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
BACE1 P56817 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
STS P08842 1/20 0.44
SYK P43405 1/20 0.44
NAMPT P43490 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL20479380 0.92 PDE4B (0.55) PDE4BUSP30CPB1MEN1KMT2A
SCHEMBL20479379 0.92 PDE4B (0.55) PDE4BUSP30CPB1MEN1KMT2A
SCHEMBL24509184 0.91 PDE4B (0.59) PDE4BUSP30MEN1KMT2ACTSK
SCHEMBL9051439 0.91 PDE4B (0.59) PDE4BUSP30MEN1KMT2ACTSK
SCHEMBL15720211 0.91 PDE4B (0.59) PDE4BUSP30MEN1KMT2ACTSK
SCHEMBL9053027 0.91 PDE4B (0.59) PDE4BUSP30MEN1KMT2ACTSK
SCHEMBL23226921 0.90 HSD11B1 (0.50) PDE4BUSP30CPB1CTSKL3MBTL1
SCHEMBL29492127 0.90 HSD11B1 (0.50) PDE4BUSP30CPB1MEN1KMT2A
SCHEMBL23233903 0.90 HSD11B1 (0.50) PDE4BUSP30CPB1CTSKL3MBTL1
SCHEMBL16674647 0.90 HSD11B1 (0.50) PDE4BUSP30CPB1CTSKL3MBTL1

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 4 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
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 PDE4B 2660/4885USP30 3137/4885CPB1 1017/4885

“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.