SCHEMBL16765682

SCHEMBL16765682

CC(C)(C)OC(=O)NCCc1cccc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.50
BCHE P06276 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MALT1 Q9UDY8 1/20 0.41

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
SCHEMBL29510880 0.86 NPSR1 (0.47) NQO2BCHENPSR1CA1CA2
SCHEMBL31505328 0.85 NQO2 (0.54) NQO2BCHELMNAGAAHPGD
SCHEMBL28580348 0.83 NQO2 (0.49) NQO2BCHELMNAGAAHPGD
SCHEMBL18765320 0.83 NQO2 (0.49) NQO2BCHELMNAGAAHPGD
SCHEMBL15436107 0.82 NQO2 (0.48) NQO2BCHELMNAGAAHPGD
SCHEMBL17274050 0.81 SUCNR1 (0.48) NQO2BCHENAMPTIDO1
SCHEMBL31505320 0.81 NQO2 (0.47) NQO2BCHELMNAGAAHPGD
SCHEMBL13199883 0.81 NQO2 (0.47) NQO2BCHELMNAGAAHPGD
SCHEMBL13217212 0.81 NQO2 (0.47) NQO2BCHELMNAGAAHPGD
SCHEMBL903992 0.78 NQO2 (0.46) NQO2CA1CA2POLBNAMPT

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
EP-3077384-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY HOFFMANN LA ROCHE (CH) 2017-09-06 EP disclosed
EP-3077384-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY F. Hoffmann-La Roche AG (CH) 2016-10-12 EP disclosed
US-9260415-B2 Heteroaryl pyridone and aza-pyridone compounds with electrophilic functionality GENENTECH, INC. (US) 2016-02-16 US disclosed
US-20150158846-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY GENENTECH, INC. (US) 2015-06-11 US disclosed
WO-2015082583-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY F. HOFFMANN-LA ROCHE AG (CH) 2015-06-11 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-20150158846-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY BTK, TYK2, LCK NQO2 872/4885BCHE 4076/4885LMNA 3240/4885

“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.