SCHEMBL492336

SCHEMBL492336

O=C(O)c1n[nH]c2nc(-c3ccccc3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.56
GSK3A P49840 4/20 0.56
FEN1 P39748 1/20 0.47
TP53 P04637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALK Q9UM73 1/20 0.43
CDK2 P24941 2/20 0.43
MAP2K3 P46734 1/20 0.43
MYLK Q15746 1/20 0.43
MARK1 Q9P0L2 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 2/20 0.41
LIMK1 P53667 2/20 0.41
CHEK1 O14757 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
PDGFRA P16234 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
SCHEMBL492273 0.81 ALDH1A1 (0.56) GSK3BGSK3AFEN1ALDH1A1ALK
SCHEMBL16517019 0.78 MAPT (0.51) GSK3BGSK3ACHEK1PIM1
SCHEMBL12035265 0.78 GSK3A (0.52) GSK3BGSK3AFEN1TP53ALDH1A1
SCHEMBL30675639 0.77 AURKB (0.51) GSK3BGSK3AFEN1ALDH1A1ALK
SCHEMBL13329926 0.77 AURKB (0.51) GSK3BGSK3AFEN1ALDH1A1ALK
SCHEMBL493663 0.76 ADORA1 (0.41) HAO1
SCHEMBL1636452 0.76 ADORA2A (0.41) HAO1MAPK1
SCHEMBL16517693 0.76 ADORA2A (0.41) KDM4ELMNACYP1A2HAO1CYP2C19
SCHEMBL1635335 0.75 GSK3B (0.50) GSK3BGSK3AFEN1CDK2MYLK
SCHEMBL4604301 0.73 CHRNA7 (0.67) GSK3BGSK3A

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
US-8273891-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-25 US disclosed
US-8106066-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-01-31 US disclosed
US-7932248-B2 3-(1,4-Diazabicyclo[3.2.2]non-4-ylcarbonyl)-5-(tetrahydro-2H-pyran-4-yloxy)-1H-indazole,nicotinic receptor agonists; particularly ligands for the nicotinic alpha-7-receptor(alpha 7 nAChR subtype); brain disorders; neuroprotectants; strokes; antiischemic agents; glutamate-induced excitotoxicity MEMORY PHARMACEUTICALS CORPORATION (US) 2011-04-26 US disclosed
US-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF SCHUMACHER RICHARD 2010-06-03 US disclosed
EP-1963332-A1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-09-03 EP disclosed
EP-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
US-20070135417-A1 3-(1,4-Diazabicyclo[3.2.2]non-4-ylcarbonyl)-5-(tetrahydro-2H-pyran-4-yloxy)-1H-indazole,nicotinic receptor agonists; particularly ligands for the nicotinic alpha-7-receptor(alpha 7 nAChR subtype); brain disorders; neuroprotectants; strokes; antiischemic agents; glutamate-induced excitotoxicity MEMORY PHARMACEUTICALS CORPORATION 2007-06-14 US disclosed
WO-2007056582-A1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-05-18 WO disclosed
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2007-04-05 US disclosed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 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 (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-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 GSK3B 1650/4885GSK3A 1840/4885FEN1 4790/4885
US-20070135417-A1 3-(1,4-Diazabicyclo[3.2.2]non-4-ylcarbonyl)-5-(tetrahydro-2H-pyran-4-yloxy)-1H-indazole,nicotinic receptor agonists; particularly ligands for the nicotinic alpha-7-receptor(alpha 7 nAChR subtype); brain disorders; neuroprotectants; strokes; antiischemic agents; glutamate-induced excitotoxicity CHRNA7, CHRNA5, CHRNA3 GSK3B 2123/4885GSK3A 2212/4885FEN1 4821/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 GSK3B 1650/4885GSK3A 1840/4885FEN1 4790/4885

“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.