SCHEMBL1572799

SCHEMBL1572799

O=C(O)c1n[nH]c2ccc(C3=CCOCC3)cc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.59
▸ PRKAG1 P54619 10/20 0.51
▸ PRKAA1 Q13131 10/20 0.51
▸ PRKAB1 Q9Y478 10/20 0.51
▸ IKBKE Q14164 1/20 0.48
▸ TBK1 Q9UHD2 1/20 0.48
▸ PRKAB2 O43741 9/20 0.45
▸ PRKAA2 P54646 9/20 0.45
▸ PRKAG3 Q9UGI9 9/20 0.45
▸ PRKAG2 Q9UGJ0 9/20 0.45
▸ DYRK1A Q13627 3/20 0.43
▸ HAO1 Q9UJM8 1/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ FABP7 O15540 1/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ JAK2 O60674 1/20 0.41

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
SCHEMBL492421 0.90 GSK3B (0.50) GSK3BPRKAG1PRKAA1PRKAB1IKBKE
SCHEMBL1572749 0.79 GSK3B (0.56) GSK3BIKBKETBK1DYRK1AKCNH2
SCHEMBL5043498 0.78 GSK3B (0.53) GSK3BDYRK1AKCNH2WNT1
SCHEMBL1176422 0.78 GSK3B (0.53) GSK3BDYRK1AKCNH2WNT1
SCHEMBL1963811 0.77 CHRNA7 (0.62) GSK3BDYRK1AKCNH2WNT1
SCHEMBL1970694 0.77 CHRNA7 (0.62) GSK3BDYRK1AKCNH2WNT1
SCHEMBL2086344 0.77 DYRK1A (0.66) GSK3BDYRK1AKCNH2WNT1
SCHEMBL1966154 0.77 CHRNA7 (0.62) GSK3BDYRK1AKCNH2WNT1
SCHEMBL29644269 0.77 KDM4E (0.48) GSK3BIKBKETBK1JAK2
SCHEMBL26979848 0.77 KDM4E (0.48) GSK3BIKBKETBK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 — — EP claimed
CN-103724343-A Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARM CORP 2014-04-16 — — CN disclosed
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2013-08-22 — — US disclosed
US-8486937-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2013-07-16 — — US disclosed
US-8263619-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-11 — — US disclosed
US-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 — — US disclosed
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 — — US disclosed
EP-1745046-B1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2011-04-13 — — EP disclosed
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
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 — — EP disclosed
EP-1742944-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-17 — — EP disclosed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 — — EP disclosed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 — — US disclosed
WO-2006069097-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2006-06-29 — — WO disclosed
WO-2006001894-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICAL CORPORATION (US) 2006-01-05 — — WO disclosed
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-12-08 — — US disclosed
WO-2005111038-A2 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-11-24 — — WO disclosed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 — — US disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 — — US disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 — — 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 (7 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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 GSK3B 1117/4885PRKAG1 1882/4885PRKAA1 1894/4885
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof CHRNA7, CHRNA1, CHRNA5 GSK3B 1110/4885PRKAG1 1659/4885PRKAA1 2041/4885
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 GSK3B 920/4885PRKAG1 1716/4885PRKAA1 1573/4885
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 GSK3B 920/4885PRKAG1 1716/4885PRKAA1 1573/4885
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof CHRNA7, CHRNA5, CHRNA6 GSK3B 1971/4885PRKAG1 1017/4885PRKAA1 2057/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 GSK3B 1117/4885PRKAG1 1882/4885PRKAA1 1894/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 GSK3B 1140/4885PRKAG1 1796/4885PRKAA1 1849/4885

“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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