SCHEMBL23010089

SCHEMBL23010089

CC(C)(C)OC(=O)n1c2ccncc2c2ccc(-c3ccnc([N+](=O)[O-])c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA1 P14867 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ GPR119 Q8TDV5 4/20 0.33
▸ TTK P33981 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ HIPK2 Q9H2X6 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ LATS1 O95835 3/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ LATS2 Q9NRM7 1/20 0.31
▸ CYP17A1 P05093 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL16268180 0.90 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL18012185 0.81 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16610350 0.78 GPR119 (0.46) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16610290 0.78 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL21308367 0.77 MAPT (0.36) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16597877 0.77 GABRG2 (0.36) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL20129203 0.77 NR1H2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16597821 0.76 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL17997397 0.76 GABRG2 (0.36) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16268477 0.74 HIPK2 (0.33) HIPK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047321-A1 GAMMA-CARBOLINE COMPOUNDS FOR THE DETECTION OF TAU AGGREGATES Lantheus Biosciences Ltd. (GB) 2021-02-18 — — 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 (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-20210047321-A1 GAMMA-CARBOLINE COMPOUNDS FOR THE DETECTION OF TAU AGGREGATES MAPT, PSEN1, PSEN2 GABRG2 1241/4885GABRB3 688/4885GABRA5 944/4885

“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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