SCHEMBL21217178

SCHEMBL21217178

CC(C)(C)OC(=O)n1c2ccncc2c2sc(I)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA1 P14867 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ GPR119 Q8TDV5 4/20 0.32
▸ BCHE P06276 1/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ LATS1 O95835 1/20 0.31
▸ LATS2 Q9NRM7 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
SCHEMBL21198004 0.82 ELANE (0.32) —
SCHEMBL22978317 0.79 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL19805011 0.74 GABRG2 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16637537 0.74 GABRG2 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL19806740 0.74 DDB1 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL29773883 0.73 CHRM2 (0.49) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL21146832 0.72 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL31407376 0.69 PIM1 (0.42) GABRG2GABRB3GABRA5GPR119BCHE
SCHEMBL1587770 0.69 PIM1 (0.42) GABRG2GABRB3GABRA5GPR119BCHE
SCHEMBL31758488 0.69 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306089-B2 Gamma-carboline compounds for the detection of Tau aggregates LIFE MOLECULAR IMAGING LIMITED (GB) 2022-04-19 — — US disclosed
US-20210047321-A1 GAMMA-CARBOLINE COMPOUNDS FOR THE DETECTION OF TAU AGGREGATES Lantheus Biosciences Ltd. (GB) 2021-02-18 — — US disclosed
US-20210047321-A1 GAMMA-CARBOLINE COMPOUNDS FOR THE DETECTION OF TAU AGGREGATES Lantheus Biosciences Ltd. (GB) 2021-02-18 — — US disclosed
WO-2019145291-A1 GAMMA-CARBOLINE COMPOUNDS FOR THE DETECTION OF TAU AGGREGATES AC IMMUNE SA (CH) 2019-08-01 — — 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 (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-11306089-B2 Gamma-carboline compounds for the detection of Tau aggregates MAPT, PSEN1, PSEN2 GABRG2 1241/4885GABRB3 688/4885GABRA5 944/4885
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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