SCHEMBL16637427

SCHEMBL16637427

CC(C)(C)OC(=O)n1c2ccncc2c2ccc(-c3ccc(F)nc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.41
▸ BTK Q06187 1/20 0.36
▸ GRIA1 P42261 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ RET P07949 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ GABRA1 P14867 1/20 0.34

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
SCHEMBL22960801 0.90 MAPT (0.39) MAPTBTKGPR119GABRG2GABRB3
SCHEMBL21308367 0.85 MAPT (0.36) MAPTBTKGPR119GABRG2GABRB3
SCHEMBL21310437 0.83 AAK1 (0.39) MAPTGPR119GABRG2GABRB3GABRA5
SCHEMBL19805011 0.79 GABRG2 (0.37) BTKGPR119GABRG2GABRB3GABRA5
SCHEMBL16637537 0.79 GABRG2 (0.37) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL22907143 0.79 MAPT (0.53) MAPTJAK2RETKDRGSK3A
SCHEMBL29547252 0.79 MAPT (0.53) MAPTJAK2RETKDRGSK3A
SCHEMBL19806740 0.77 DDB1 (0.42) GPR119GABRG2GABRB3GABRA5GABRA1
SCHEMBL18012185 0.73 GABRG2 (0.41) MAPTBTKGPR119GABRG2GABRB3
SCHEMBL29773883 0.71 CHRM2 (0.49) GPR119GABRG2GABRB3GABRA5GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11058781-B2 Diazacarbazole derivatives as tau-PET-ligands HOFFMANN-LA ROCHE INC. 2021-07-13 — — US claimed
US-20180326099-A1 DIAZACARBAZOLE DERIVATIVES AS TAU-PET-LIGANDS HOFFMANN-LA ROCHE INC. (US) 2018-11-15 — — US claimed
US-11058781-B2 Diazacarbazole derivatives as tau-PET-ligands HOFFMANN-LA ROCHE INC. 2021-07-13 — — US disclosed
US-20210047327-A1 DIAGNOSTIC COMPOSITIONS FOR PET IMAGING, A METHOD FOR MANUFACTURING THE DIAGNOSTIC COMPOSITION AND ITS USE IN DIAGNOSTICS LIFE MOLECULAR IMAGING LIMITED (GB) 2021-02-18 — — US disclosed
US-20210038747-A1 NOVEL METHOD OF PREPARING AN IMAGING COMPOUND LIFE MOLECULAR IMAGING LIMITED (GB) 2021-02-11 — — US disclosed
US-10865207-B2 Compounds for imaging Tau protein aggregates AC IMMUNE S.A. (CH) 2020-12-15 — — US disclosed
US-10835624-B2 Compounds for imaging Tau protein aggregates AC IMMUNE S.A. (CH) 2020-11-17 — — US disclosed
US-20190262480-A1 COMPOUNDS FOR IMAGING TAU PROTEIN AGGREGATES Lantheus Biosciences Ltd. (GB) 2019-08-29 — — US disclosed
US-20190263817-A1 COMPOUNDS FOR IMAGING TAU PROTEIN AGGREGATES Lantheus Biosciences Ltd. (GB) 2019-08-29 — — US disclosed
WO-2019145294-A1 NOVEL METHOD OF PREPARING AN IMAGING COMPOUND AC IMMUNE SA (CH) 2019-08-01 — — WO disclosed
WO-2019145293-A1 DIAGNOSTIC COMPOSITIONS FOR PET IMAGING, A METHOD FOR MANUFACTURING THE DIAGNOSTIC COMPOSITION AND ITS USE IN DIAGNOSTICS AC IMMUNE SA (CH) 2019-08-01 — — WO disclosed
US-20180326099-A1 DIAZACARBAZOLE DERIVATIVES AS TAU-PET-LIGANDS HOFFMANN-LA ROCHE INC. (US) 2018-11-15 — — US disclosed
US-10004817-B2 Diazacarbazole derivatives as tau-PET-ligands HOFFMANN-LA ROCHE INC. (US) 2018-06-26 — — US disclosed
WO-2018015549-A1 COMPOUNDS FOR IMAGING TAU PROTEIN AGGREGATES AC IMMUNE S.A. (CH) 2018-01-25 — — WO disclosed
WO-2018015546-A1 COMPOUNDS FOR IMAGING TAU PROTEIN AGGREGATES AC IMMUNE S.A. (CH) 2018-01-25 — — WO disclosed
EP-3055308-B1 DIAZACARBAZOLE DERIVATIVES AS TAU-PET-LIGANDS HOFFMANN LA ROCHE (CH) 2017-11-22 — — EP disclosed
EP-3055308-A1 DIAZACARBAZOLE DERIVATIVES AS TAU-PET-LIGANDS F.HOFFMANN-LA ROCHE AG (CH) 2016-08-17 — — EP disclosed
WO-2015052105-A1 DIAZACARBAZOLE DERIVATIVES AS TAU-PET-LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 — — 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 (9 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-20190262480-A1 COMPOUNDS FOR IMAGING TAU PROTEIN AGGREGATES MAPT, PSEN2, PSEN1 MAPT 1/4885BTK 4542/4885GRIA1 910/4885
US-10835624-B2 Compounds for imaging Tau protein aggregates MAPT, PSEN2, PSEN1 MAPT 1/4885BTK 4542/4885GRIA1 910/4885
US-10004817-B2 Diazacarbazole derivatives as tau-PET-ligands SNCA, MAPT, PSEN1 MAPT 2/4885BTK 2942/4885GRIA1 1442/4885
US-20180326099-A1 DIAZACARBAZOLE DERIVATIVES AS TAU-PET-LIGANDS SNCA, MAPT, PSEN1 MAPT 2/4885BTK 2942/4885GRIA1 1442/4885
US-20210047327-A1 DIAGNOSTIC COMPOSITIONS FOR PET IMAGING, A METHOD FOR MANUFACTURING THE DIAGNOSTIC COMPOSITION AND ITS USE IN DIAGNOSTICS MAPT, PSEN1, APP MAPT 1/4885BTK 4677/4885GRIA1 1097/4885
US-10865207-B2 Compounds for imaging Tau protein aggregates MAPT, PSEN1, PSEN2 MAPT 1/4885BTK 4547/4885GRIA1 660/4885
US-11058781-B2 Diazacarbazole derivatives as tau-PET-ligands SNCA, MAPT, PSEN1 MAPT 2/4885BTK 2942/4885GRIA1 1442/4885
US-20190263817-A1 COMPOUNDS FOR IMAGING TAU PROTEIN AGGREGATES MAPT, PSEN1, PSEN2 MAPT 1/4885BTK 4547/4885GRIA1 660/4885
US-20210038747-A1 NOVEL METHOD OF PREPARING AN IMAGING COMPOUND MAPT, PSEN2, PSEN1 MAPT 1/4885BTK 4778/4885GRIA1 540/4885

“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.

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