SCHEMBL21308367

SCHEMBL21308367

CC(C)(C)OC(=O)n1c2ccncc2c2ccc(-c3ccc([N+](=O)[O-])nc3)nc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.36
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ TTK P33981 2/20 0.32
▸ BTK Q06187 1/20 0.32
▸ GPR119 Q8TDV5 3/20 0.31
▸ NR1H2 P55055 2/20 0.31
▸ USP30 Q70CQ3 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL16637427 0.85 MAPT (0.41) MAPTGABRG2GABRB3GABRA5GABRA1
SCHEMBL22960801 0.85 MAPT (0.39) MAPTGABRG2GABRB3GABRA5GABRA1
SCHEMBL16268180 0.85 GABRG2 (0.38) MAPTGABRG2GABRB3GABRA5GABRA1
SCHEMBL21310437 0.79 AAK1 (0.39) MAPTGABRG2GABRB3GABRA5GABRA1
SCHEMBL23010089 0.77 GABRG2 (0.38) MAPTGABRG2GABRB3GABRA5GABRA1
SCHEMBL19805011 0.76 GABRG2 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16637537 0.76 GABRG2 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL19806740 0.73 DDB1 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16268476 0.71 HIPK2 (0.33) MAPT
SCHEMBL16268477 0.71 HIPK2 (0.33) MAPT

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
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-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

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

For each of this compound's patents that has machine-readable text (5 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 1/4885GABRG2 2609/4885GABRB3 1875/4885
US-10835624-B2 Compounds for imaging Tau protein aggregates MAPT, PSEN2, PSEN1 MAPT 1/4885GABRG2 2609/4885GABRB3 1875/4885
US-20210047327-A1 DIAGNOSTIC COMPOSITIONS FOR PET IMAGING, A METHOD FOR MANUFACTURING THE DIAGNOSTIC COMPOSITION AND ITS USE IN DIAGNOSTICS MAPT, PSEN1, APP MAPT 1/4885GABRG2 1520/4885GABRB3 1204/4885
US-10865207-B2 Compounds for imaging Tau protein aggregates MAPT, PSEN1, PSEN2 MAPT 1/4885GABRG2 2766/4885GABRB3 1947/4885
US-20190263817-A1 COMPOUNDS FOR IMAGING TAU PROTEIN AGGREGATES MAPT, PSEN1, PSEN2 MAPT 1/4885GABRG2 2766/4885GABRB3 1947/4885

“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.

Send feedback