SCHEMBL1176208

SCHEMBL1176208

CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2cc(OC(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 13/20 0.41
▸ GSK3B P49841 12/20 0.41
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34

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
SCHEMBL5039120 1.00 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3JAK2
Formic Acid SCHEMBL5562792 0.96 DYRK1A (0.39) DYRK1AGSK3BCLK2CLK3JAK2
SCHEMBL1176146 0.92 GSK3B (0.46) DYRK1AGSK3BCLK2CLK3RBP4
SCHEMBL5048308 0.92 GSK3B (0.46) DYRK1AGSK3BCLK2CLK3RBP4
SCHEMBL1176642 0.89 TRPA1 (0.39) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL5046515 0.89 TRPA1 (0.39) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL1176315 0.89 GSK3B (0.43) DYRK1AGSK3BRBP4
SCHEMBL5043738 0.89 GSK3B (0.43) DYRK1AGSK3BRBP4
Formic Acid SCHEMBL5556601 0.89 GSK3B (0.43) DYRK1AGSK3BCLK2CLK3RBP4
Hydrochloric Acid SCHEMBL1176734 0.88 GSK3B (0.43) DYRK1AGSK3BRBP4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4824578-B2 — — 2011-11-30 — — JP claimed
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US claimed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP claimed
EP-1697378-A2 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-09-06 — — EP claimed
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
WO-2005063767-A2 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-14 — — WO claimed
US-8158629-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-04-17 — — US disclosed
US-8158629-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-04-17 — — US disclosed
US-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2011-12-22 — — US disclosed
US-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2011-12-22 — — US disclosed
US-7964600-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-06-21 — — US disclosed
US-7964600-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-06-21 — — US disclosed
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-7790722-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2010-09-07 — — US disclosed
US-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-04-02 — — US disclosed
US-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-04-02 — — US disclosed
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US disclosed
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US disclosed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP 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 (4 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-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 DYRK1A 1504/4885GSK3B 608/4885CLK2 1801/4885
US-20110028483-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 DYRK1A 1504/4885GSK3B 608/4885CLK2 1801/4885
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA1 DYRK1A 1504/4885GSK3B 608/4885CLK2 1801/4885
US-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 DYRK1A 1504/4885GSK3B 608/4885CLK2 1801/4885

“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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