SCHEMBL929267

SCHEMBL929267

CC(C)(C)[Si](C)(C)OCc1cccc(CN)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.34
BACE1 P56817 1/20 0.33
LMNA P02545 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
DUT P33316 2/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL5466523 0.88 KCNH2 (0.39) KCNH2IRAK4BACE1LMNAHRH4
SCHEMBL4712759 0.87 HRH1 (0.37) KCNH2IRAK4BACE1NOS1NOS2
SCHEMBL20416847 0.84 KCNH2 (0.39) KCNH2IRAK4BACE1LMNADUT
SCHEMBL20436590 0.84 KCNH2 (0.39) KCNH2IRAK4BACE1LMNAHRH4
SCHEMBL29529715 0.83 KCNH2 (0.38) KCNH2IRAK4BACE1LMNAHRH4
SCHEMBL29994742 0.83 KCNH2 (0.38) KCNH2IRAK4BACE1LMNADUT
SCHEMBL3534071 0.83 NOS2 (0.38) KCNH2IRAK4BACE1NOS1NOS2
SCHEMBL379113 0.83 KCNH2 (0.38) KCNH2IRAK4BACE1LMNADUT
SCHEMBL4715736 0.83 KCNH2 (0.38) KCNH2IRAK4BACE1LMNAHRH4
SCHEMBL20436593 0.81 TAAR1 (0.33) KCNH2IRAK4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511260-B1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT UNIV GIFU (JP) 2015-07-29 EP disclosed
US-8633304-B2 Oligonucleotide derivative comprising an aromatic compound GIFU UNIVERSITY (JP) 2014-01-21 US disclosed
US-8633304-B2 Oligonucleotide derivative comprising an aromatic compound GIFU UNIVERSITY (JP) 2014-01-21 US disclosed
EP-2511260-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT Gifu University (JP) 2012-10-17 EP disclosed
US-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT GIFU UNIVERSITY (JP) 2012-09-27 US disclosed
US-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT GIFU UNIVERSITY (JP) 2012-09-27 US disclosed
WO-2011071078-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT 国立大学法人岐阜大学 (JP) 2011-06-16 WO disclosed
US-7875600-B2 Pyrimidine compounds as purine receptor antagonist VERNALIS (R&D) LIMITED (GB) 2011-01-25 US disclosed
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide VERNALIS (R & D ) LIMITED (GB) 2007-12-06 US disclosed
EP-1720553-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R&D) LTD (GB) 2006-11-15 EP disclosed
WO-2005079801-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R & D) LTD (GB) 2005-09-01 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 (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-20120245341-A1 AROMATIC COMPOUND, MODIFICATION CARRIER THAT USES SAME AND IS USED FOR SYNTHESIZING AN OLIGONUCLEOTIDE DERIVATIVE, OLIGONUCLEOTIDE DERIVATIVE, AND OLIGONUCLEOTIDE CONSTRUCT NSUN2, SLCO2A1, ABCB7 KCNH2 1341/4885IRAK4 2514/4885BACE1 3420/4885
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide ADORA2A, ADORA3, ADORA1 KCNH2 645/4885IRAK4 4160/4885BACE1 2013/4885

“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.