Sugi Predict

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SCHEMBL609042

SCHEMBL609042

CC(C)(C)OC(=O)N1CC=C(c2ccc(N)nc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.44
▸ ATR Q13535 2/20 0.43
▸ BTK Q06187 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ TNK2 Q07912 1/20 0.42
▸ GRM1 Q13255 6/20 0.40
▸ GRM5 P41594 6/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL29538449 1.00 NAMPT (0.44) NAMPTATRBTKCYP11B2ALOX5AP
SCHEMBL10263251 0.89 NAMPT (0.54) NAMPTATRBTKCYP11B2PDK4
SCHEMBL29803742 0.89 NAMPT (0.54) NAMPTATRBTKCYP11B2PDK4
SCHEMBL22928245 0.88 NAMPT (0.44) NAMPTATRBTKCYP11B2PDK4
SCHEMBL23554461 0.84 TNF (0.44) NAMPTATRBTKCYP11B2PDK4
SCHEMBL29550046 0.84 TNF (0.44) NAMPTATRBTKCYP11B2PDK4
SCHEMBL17002448 0.84 NR1H2 (0.52) NAMPTATRBTKPDK4TNK2
SCHEMBL29220909 0.83 GPR119 (0.54) NAMPTCYP11B2PDK4GRM1GRM5
SCHEMBL28709093 0.83 TBK1 (0.43) NAMPTBTKCYP11B2PDK4TNK2
SCHEMBL21245626 0.82 ALDH1A1 (0.41) NAMPTATRBTKCYP11B2PDK4

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US disclosed
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 — — US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 — — EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 — — US disclosed
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2020-05-26 — — US disclosed
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2020-05-26 — — US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 — — US disclosed
US-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-08-15 — — US disclosed
US-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-08-15 — — US disclosed
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2019-01-29 — — US disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 — — US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 — — EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 — — US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 — — EP disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 — — EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 — — WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 — — US disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 — — WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — 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 (10 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-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 NAMPT 935/4885ATR 670/4885BTK 60/4885
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 NAMPT 935/4885ATR 670/4885BTK 60/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885ATR 2328/4885BTK 781/4885
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 NAMPT 935/4885ATR 670/4885BTK 60/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885ATR 2328/4885BTK 781/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 NAMPT 304/4885ATR 292/4885BTK 366/4885
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN NAMPT 3957/4885ATR 653/4885BTK 1/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885ATR 2328/4885BTK 781/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R NAMPT 1606/4885ATR 2328/4885BTK 781/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN NAMPT 3957/4885ATR 653/4885BTK 1/4885

“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.