SCHEMBL5869050

SCHEMBL5869050

Cc1cn(-c2nc(C(=O)CC(=O)OC(C)(C)C)cs2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
BLM P54132 1/20 0.36
ESR2 Q92731 1/20 0.36
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 2/20 0.34
ABCB1 P08183 1/20 0.33
USP30 Q70CQ3 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIM1 P11309 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL5868797 0.81 CHEK1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL5868882 0.76 GAA (0.53) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL5869160 0.73 LDHA (0.37) KMT2APOLBMAPTNR2E1PSEN1
SCHEMBL7460091 0.71 HPGDS (0.38) ALDH1A1L3MBTL1HPGDABCB1KDM4E
SCHEMBL7707033 0.71 HPGDS (0.38) ALDH1A1POLBHPGDMAPTGAA
SCHEMBL5868844 0.70 MAPK13 (0.50) USP30CPB2NR2E1
SCHEMBL15176336 0.66 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL5161432 0.65 L3MBTL1 (0.38) ALDH1A1L3MBTL1MAPTGAAKDM4E
SCHEMBL3586455 0.65 ALPL (0.47) ALDH1A1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL12402698 0.64 PIM1 (0.38) GAAPIM1PIM3PIM2NR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
CN-1199954-C Benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2005-05-04 CN disclosed
CN-1195522-C Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist HOFFMANN LA ROCHE (CH) 2005-04-06 CN disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
EP-1224174-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
CN-1379764-A Benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2002-11-13 CN disclosed
CN-1379765-A Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist HOFFMANN LA ROCHE (CH) 2002-11-13 CN disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (3 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 ALDH1A1 637/4885MEN1 3699/4885KMT2A 1397/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ALDH1A1 1025/4885MEN1 3796/4885KMT2A 1239/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ALDH1A1 1025/4885MEN1 3796/4885KMT2A 1239/4885

“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.