SCHEMBL376676

SCHEMBL376676

CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
PDE4B Q07343 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H2 P55055 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL17438284 1.00 HPGD (0.46) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL21188762 1.00 HPGD (0.46) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL31350781 1.00 HPGD (0.46) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL15749167 1.00 HPGD (0.46) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL10177807 0.88 HPGD (0.46) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL716215 0.88 HPGD (0.46) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL17181323 0.88 HPGD (0.46) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL17978825 0.88 HPGD (0.46) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL2845785 0.88 HPGD (0.46) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL15399530 0.86 NR1H2 (0.46) HPGDRECQLEPHX1ALDH1A1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 EP disclosed
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 EP disclosed
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-01-21 US disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 HPGD 4109/4885RECQL 982/4885EPHX1 2868/4885
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB HPGD 2889/4885RECQL 2968/4885EPHX1 3020/4885

“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.