SCHEMBL1176152

SCHEMBL1176152

Cc1ccc(-c2ccc3c(C(=O)N4C[C@@H]5C[C@H]4CN5C)n[nH]c3c2)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.38
▸ JAK1 P23458 3/20 0.38
▸ TYK2 P29597 3/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ DYRK1A Q13627 7/20 0.37
▸ GSK3B P49841 6/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ PAK1 Q13153 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ CLK2 P49760 2/20 0.34
▸ CLK3 P49761 2/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ AXL P30530 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
SCHEMBL5039448 1.00 JAK2 (0.38) JAK2JAK1TYK2JAK3DYRK1A
Formic Acid SCHEMBL5563840 0.96 JAK2 (0.36) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL1175540 0.93 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3
SCHEMBL5038892 0.93 DYRK1A (0.41) DYRK1AGSK3BCLK2CLK3
Formic Acid SCHEMBL5562289 0.90 DYRK1A (0.39) DYRK1AGSK3BCLK2CLK3
SCHEMBL5044696 0.88 CHEK1 (0.41) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL1176680 0.88 CHEK1 (0.41) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL5048316 0.87 DYRK1A (0.42) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL1176338 0.87 DYRK1A (0.42) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL1176466 0.87 CDK2 (0.48) JAK2JAK1TYK2JAK3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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-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-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-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-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 (3 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 JAK2 1182/4885JAK1 1179/4885TYK2 795/4885
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA1 JAK2 1182/4885JAK1 1179/4885TYK2 795/4885
US-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 JAK2 1182/4885JAK1 1179/4885TYK2 795/4885

“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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