SCHEMBL21310437

SCHEMBL21310437

CC(C)(C)OC(=O)n1c2ccncc2c2ccc(-c3ccnc(Cl)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.39
▸ TTK P33981 4/20 0.37
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ PRKD1 Q15139 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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
SCHEMBL16637537 0.83 GABRG2 (0.37) TTKGABRG2GABRB3GABRA5GPR119
SCHEMBL22960801 0.83 MAPT (0.39) TTKGABRG2GABRB3GABRA5MAPT
SCHEMBL16637427 0.83 MAPT (0.41) TTKGABRG2GABRB3GABRA5MAPT
SCHEMBL21308367 0.79 MAPT (0.36) TTKGABRG2GABRB3GABRA5MAPT
SCHEMBL19805011 0.77 GABRG2 (0.37) GABRG2GABRB3GABRA5GPR119GABRA1
SCHEMBL19806740 0.74 DDB1 (0.42) GABRG2GABRB3GABRA5GPR119GABRA1
SCHEMBL23010089 0.71 GABRG2 (0.38) TTKGABRG2GABRB3GABRA5MAPT
SCHEMBL29773883 0.69 CHRM2 (0.49) GABRG2GABRB3GABRA5GPR119GABRA1
SCHEMBL16597821 0.69 GABRG2 (0.42) GABRG2GABRB3GABRA5GPR119GABRA1
SCHEMBL1424086 0.69 PRKD1 (0.62) PRKCAPRKCDPRKD1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (2 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 AAK1 1663/4885TTK 3024/4885GABRG2 2609/4885
US-10835624-B2 Compounds for imaging Tau protein aggregates MAPT, PSEN2, PSEN1 AAK1 1663/4885TTK 3024/4885GABRG2 2609/4885

“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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