SCHEMBL12779142

SCHEMBL12779142

Bc1ccc2nc(C)nn2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
AHR P35869 7/20 0.37
TLR9 Q9NR96 3/20 0.32
TLR8 Q9NR97 3/20 0.32
TLR7 Q9NYK1 3/20 0.32
TGFBR1 P36897 1/20 0.32
COMT P21964 1/20 0.32
HSD11B1 P28845 1/20 0.32
LRRK2 Q5S007 2/20 0.31
JAK2 O60674 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL7921087 0.79 AHR (0.46) DYRK1AAHRTLR9TLR8TLR7
SCHEMBL5930721 0.76 DYRK1A (0.38) DYRK1AAHRTLR9TLR8TLR7
SCHEMBL22438963 0.76 DYRK1A (0.38) DYRK1AAHRTLR9TLR8TLR7
SCHEMBL618586 0.76 AHR (0.60) DYRK1AAHRTGFBR1PIK3CG
SCHEMBL10271997 0.76 AHR (0.51) DYRK1AAHRPIK3CD
Hydrochloric Acid SCHEMBL31600019 0.74 DYRK1A (0.37) DYRK1AAHRTLR9TLR8TLR7
SCHEMBL15294468 0.73 DYRK1A (0.36) DYRK1AAHRTGFBR1HSD11B1
SCHEMBL18611836 0.73 TLR8 (0.37) DYRK1AAHRTLR9TLR8TLR7
SCHEMBL21646518 0.73 DYRK1A (0.36) DYRK1AAHRTLR9TLR8TLR7
SCHEMBL16808003 0.73 RAB9A (0.40) DYRK1AAHRTLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098471-A1 OXAZOLIDINONE DERIVATIVE HAVING FUSED RING RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-04-28 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-20110098471-A1 OXAZOLIDINONE DERIVATIVE HAVING FUSED RING OXER1, ALOX12, CYP1A1 DYRK1A 1502/4885AHR 20/4885TLR9 2478/4885

“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.