SCHEMBL3374248

SCHEMBL3374248

CN1C2CCC1CC(NC(=O)c1n[nH]c3cc(-c4cn(CC(=O)O)nn4)ccc13)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.56
GSK3B P49841 2/20 0.56
USP30 Q70CQ3 1/20 0.44
CDC7 O00311 3/20 0.42
AURKB Q96GD4 1/20 0.41
STK17A Q9UEE5 1/20 0.41
RIPK1 Q13546 1/20 0.41
HTR3A P46098 3/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
WNT1 P04628 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
Formic Acid SCHEMBL3375290 0.97 DYRK1A (0.53) DYRK1AGSK3BUSP30CDC7AURKB
SCHEMBL2085428 0.90 CDC7 (0.56) DYRK1AGSK3BCDC7AURKBSTK17A
SCHEMBL2085431 0.90 CDC7 (0.56) DYRK1AGSK3BCDC7AURKBSTK17A
SCHEMBL2088522 0.87 DYRK1A (0.53) DYRK1AGSK3BUSP30CDC7WNT1
SCHEMBL2088545 0.87 DYRK1A (0.53) DYRK1AGSK3BUSP30CDC7WNT1
Formic Acid SCHEMBL2087409 0.87 CDC7 (0.53) DYRK1AGSK3BCDC7AURKBSTK17A
SCHEMBL2087389 0.85 DYRK1A (0.56) DYRK1AGSK3BUSP30RIPK1HTR3A
SCHEMBL3374092 0.83 CDC7 (0.65) DYRK1AGSK3BCDC7AURKBSTK17A
SCHEMBL3376687 0.83 CDC7 (0.65) DYRK1AGSK3BCDC7AURKBSTK17A
Formic Acid SCHEMBL2087311 0.83 DYRK1A (0.53) DYRK1AGSK3BUSP30RIPK1WNT1

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 10 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
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 claimed
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 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
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
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
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-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 (2 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-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 DYRK1A 1558/4885GSK3B 920/4885USP30 3786/4885
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 DYRK1A 1558/4885GSK3B 920/4885USP30 3786/4885

“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.