SCHEMBL376884

SCHEMBL376884

CC(C)(C)OC(=O)N1C[C@H](N)[C@H](c2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.62
TACR1 P25103 3/20 0.51
GPR119 Q8TDV5 1/20 0.47
PDE4B Q07343 4/20 0.46
NAMPT P43490 1/20 0.45
USP30 Q70CQ3 3/20 0.45
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL15730035 1.00 RORC (0.62) RORCTACR1GPR119PDE4BNAMPT
SCHEMBL2331698 1.00 RORC (0.62) RORCTACR1GPR119PDE4BNAMPT
SCHEMBL528059 1.00 RORC (0.62) RORCTACR1GPR119PDE4BNAMPT
SCHEMBL13975432 1.00 RORC (0.62) RORCTACR1GPR119PDE4BNAMPT
SCHEMBL10238398 1.00 RORC (0.62) RORCTACR1GPR119PDE4BNAMPT
SCHEMBL807208 0.89 RORC (0.52) RORCTACR1PDE4BUSP30
SCHEMBL12435408 0.88 RORC (0.56) RORCTACR1GPR119NAMPTUSP30
SCHEMBL19893470 0.88 RORC (0.56) RORCTACR1GPR119NAMPTUSP30
SCHEMBL20262253 0.88 RORC (0.56) RORCTACR1GPR119NAMPTUSP30
SCHEMBL2160870 0.88 RORC (0.56) RORCTACR1GPR119NAMPTUSP30

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 RORC 4366/4885TACR1 3105/4885GPR119 1384/4885

“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.