SCHEMBL12844346

SCHEMBL12844346

Cc1csc(-c2ccc3[nH]nc(CONC4CC5CC4CN5C)c3c2)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 2/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ GSK3B P49841 4/20 0.32
▸ DYRK1A Q13627 4/20 0.32

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
SCHEMBL12844169 0.93 HAO1 (0.30) HAO1
SCHEMBL12844071 0.85 GSK3B (0.39) GSK3BDYRK1A
SCHEMBL2086535 0.81 DYRK1A (0.45) HAO1GSK3BDYRK1A
SCHEMBL12843967 0.79 CHEK1 (0.36) TLR9TLR8TLR7
SCHEMBL12843966 0.78 P2RX3 (0.35) GSK3BDYRK1A
SCHEMBL12514844 0.78 CHRNA7 (0.36) —
SCHEMBL2087392 0.76 USP30 (0.40) HAO1GSK3BDYRK1A
SCHEMBL2088249 0.76 USP30 (0.40) HAO1GSK3BDYRK1A
SCHEMBL2087537 0.76 USP30 (0.40) HAO1GSK3BDYRK1A
SCHEMBL12844356 0.71 TRPA1 (0.38) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902217-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-03-08 — — US disclosed
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-05-07 — — US disclosed
US-7488737-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION (US) 2009-02-10 — — 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-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 HAO1 1052/4885TLR9 1095/4885TLR8 591/4885

“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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