SCHEMBL1176326

SCHEMBL1176326

CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2cc(-c3nccs3)c(O)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.37
▸ TLR7 Q9NYK1 2/20 0.37
▸ VNN1 O95497 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ CHRNA7 P36544 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ DYRK1A Q13627 3/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ MKNK1 Q9BUB5 2/20 0.31
▸ WNT1 P04628 2/20 0.31
▸ PRKAB2 O43741 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
SCHEMBL5038865 0.91 TLR8 (0.35) TLR8TLR7VNN1JAK2JAK1
SCHEMBL1176183 0.91 TLR8 (0.35) TLR8TLR7VNN1JAK2JAK1
SCHEMBL1176364 0.86 CHEK1 (0.40) TLR8TLR7VNN1JAK2JAK1
SCHEMBL1176658 0.86 CHEK1 (0.40) TLR8TLR7VNN1JAK2JAK1
SCHEMBL5043095 0.86 DYRK1A (0.40) DYRK1AGSK3BWNT1
SCHEMBL1175688 0.86 DYRK1A (0.40) DYRK1AGSK3BWNT1
Formic Acid SCHEMBL5562752 0.83 CHEK1 (0.38) TLR8TLR7VNN1JAK2JAK1
Formic Acid SCHEMBL5562969 0.83 DYRK1A (0.38) DYRK1AGSK3BWNT1
SCHEMBL1176703 0.79 CHEK1 (0.40) TLR8TLR7TYK2DYRK1AGSK3B
SCHEMBL5042826 0.77 DYRK1A (0.39) VNN1JAK2JAK1TYK2JAK3

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-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-08-11 — — US claimed
US-20110028483-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-02-03 — — US disclosed
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-08-11 — — 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-20110028483-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 TLR8 2124/4885TLR7 519/4885VNN1 1183/4885
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA1 TLR8 2124/4885TLR7 519/4885VNN1 1183/4885

“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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