SCHEMBL1176793

SCHEMBL1176793

CN1CC2CC1CN2C(=O)c1n[nH]c2ccc(-c3cccs3)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ DYRK1A Q13627 14/20 0.41
▸ WNT1 P04628 6/20 0.41
▸ LRRK2 Q5S007 1/20 0.39
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38

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
SCHEMBL1175940 1.00 GSK3B (0.42) GSK3BCDK2GSK3ADYRK1AWNT1
Formic Acid SCHEMBL5563261 0.96 GSK3B (0.40) GSK3BCDK2GSK3ADYRK1AWNT1
SCHEMBL1176462 0.93 CDK2 (0.48) GSK3BCDK2GSK3ACHEK1HDAC3
SCHEMBL1176466 0.93 CDK2 (0.48) GSK3BCDK2GSK3ACHEK1HDAC3
Formic Acid SCHEMBL5562073 0.89 CDK2 (0.46) GSK3BCDK2GSK3ACHEK1HDAC3
SCHEMBL5046675 0.86 DYRK1A (0.40) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL1176539 0.86 DYRK1A (0.40) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL1175540 0.86 DYRK1A (0.41) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL5038892 0.86 DYRK1A (0.41) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL5042792 0.85 DYRK1A (0.56) GSK3BDYRK1AWNT1CLK2CLK3

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-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-20110028483-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-02-03 — — 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 (1 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 GSK3B 608/4885CDK2 1206/4885GSK3A 626/4885

“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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