SCHEMBL2088543

SCHEMBL2088543

CN1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)c1n[nH]c3cc(-c4cccs4)ccc13)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.54
▸ DYRK1A Q13627 2/20 0.54
▸ CDK2 P24941 1/20 0.51
▸ GSK3A P49840 1/20 0.51
▸ HTR3A P46098 12/20 0.50
▸ CHRNB2 P17787 2/20 0.50
▸ CHRNA3 P32297 2/20 0.50
▸ CHRNA4 P43681 2/20 0.50
▸ HTR3E A5X5Y0 1/20 0.50
▸ SLC22A2 O15244 1/20 0.50
▸ HTR3B O95264 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ HTR3D Q70Z44 1/20 0.50
▸ HTR3C Q8WXA8 1/20 0.50
▸ SLC47A1 Q96FL8 1/20 0.50
▸ CHRNB4 P30926 1/20 0.45
▸ USP30 Q70CQ3 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL2087651 1.00 GSK3B (0.54) GSK3BDYRK1ACDK2GSK3AHTR3A
SCHEMBL12442100 1.00 GSK3B (0.54) GSK3BDYRK1ACDK2GSK3AHTR3A
SCHEMBL2088836 0.89 DYRK1A (0.68) GSK3BDYRK1A
SCHEMBL2086702 0.87 DYRK1A (0.54) GSK3BDYRK1AHTR3ACHRNB2CHRNA3
SCHEMBL2086700 0.87 DYRK1A (0.54) GSK3BDYRK1AHTR3ACHRNB2CHRNA3
SCHEMBL2086716 0.85 DYRK1A (0.54) GSK3BDYRK1AHTR3ACHRNB2CHRNA3
SCHEMBL2087716 0.85 DYRK1A (0.54) GSK3BDYRK1AHTR3ACHRNB2CHRNA3
SCHEMBL8357636 0.84 CDK2 (0.49) GSK3BDYRK1ACDK2GSK3AUSP30
SCHEMBL8357091 0.84 CDK2 (0.49) GSK3BDYRK1ACDK2GSK3AUSP30
SCHEMBL2088901 0.83 DYRK1A (0.60) GSK3BDYRK1ACDK2HTR3AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 — — US claimed
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 — — US 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
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
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

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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 GSK3B 920/4885DYRK1A 1558/4885CDK2 2809/4885
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 GSK3B 920/4885DYRK1A 1558/4885CDK2 2809/4885
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 GSK3B 920/4885DYRK1A 1558/4885CDK2 2809/4885

“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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