SCHEMBL481292

SCHEMBL481292

CC(C)(C)[SiH2]OC(C)(C)c1cccc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
ENPP2 Q13822 1/20 0.35
CNR2 P34972 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
VNN1 O95497 1/20 0.34
CLK4 Q9HAZ1 1/20 0.33
TSHR P16473 1/20 0.32
CNR1 P21554 1/20 0.32
PTPN5 P54829 1/20 0.32
KCNA5 P22460 1/20 0.32
GLA P06280 1/20 0.32
GRM5 P41594 2/20 0.32
EPAS1 Q99814 1/20 0.32

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
SCHEMBL4694917 0.83 KIF11 (0.32) KIF11
SCHEMBL15774676 0.80 KIF11 (0.48) KIF11TSHRPTPN5
SCHEMBL14520982 0.80 KIF11 (0.42) KIF11ENPP2CNR2PDK1PDK2
SCHEMBL501361 0.77 ENPP2 (0.40) ENPP2
SCHEMBL179266 0.75 KIF11 (0.50) KIF11ENPP2PDK1PDK2PDK3
SCHEMBL840466 0.75 ESR1 (0.39) KIF11TSHR
SCHEMBL8143455 0.72 AR (0.36)
SCHEMBL12262386 0.72 ENPP2 (0.46) KIF11ENPP2CNR2PDK1PDK2
SCHEMBL153970 0.72 KIF11 (0.47) KIF11ENPP2PDK1PDK2PDK3
SCHEMBL22667407 0.72 KIF11 (0.44) KIF11ENPP2CNR2PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955470-B Potentiators of glutamate receptors LILLY CO ELI 2012-06-13 CN disclosed
EP-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
EP-1817301-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2012-02-01 EP disclosed
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 CN disclosed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 CN disclosed
US-7803938-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
EP-1817300-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2010-03-17 EP disclosed
US-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-20090318483-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-7598423-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20080139505-A1 Potentiators Of Glutamate Receptors ARRAY BIOPHARMA, INC. 2008-06-12 US disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 US disclosed
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 CN disclosed
EP-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 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 (4 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-20080139505-A1 Potentiators Of Glutamate Receptors GRM1, GRIN1, GRM2 KIF11 4434/4885ENPP2 1427/4885CNR2 133/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 KIF11 2638/4885ENPP2 1936/4885CNR2 169/4885
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane HTR7, UGT2B7, HK1 KIF11 1819/4885ENPP2 1755/4885CNR2 898/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 KIF11 2638/4885ENPP2 1936/4885CNR2 169/4885

“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.