SCHEMBL10255199

SCHEMBL10255199

CC(C)c1ccc(C2CCN(C3COC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 16/20 0.47
TLR8 Q9NR97 16/20 0.47
TLR7 Q9NYK1 16/20 0.47
HPGD P15428 1/20 0.42
SLC18A3 Q16572 1/20 0.41
MAP3K12 Q12852 1/20 0.41
GRIN2B Q13224 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
SCHEMBL21026530 0.87 SLC18A3 (0.50) TLR9TLR8TLR7HPGDSLC18A3
SCHEMBL17661007 0.84 SLC18A3 (0.56) TLR9TLR8TLR7HPGDSLC18A3
SCHEMBL19701978 0.82 TLR9 (0.49) TLR9TLR8TLR7
SCHEMBL15492554 0.82 SLC18A3 (0.54) TLR9TLR8TLR7SLC18A3MAP3K12
SCHEMBL17630570 0.82 SLC18A3 (0.54) TLR9TLR8TLR7SLC18A3MAP3K12
SCHEMBL20323974 0.80 HPGD (0.41) TLR9TLR8TLR7HPGDSLC18A3
SCHEMBL16427763 0.79 SLC18A3 (0.45) TLR9TLR8TLR7SLC18A3MAP3K12
SCHEMBL22055105 0.78 SLC18A3 (0.66) HPGDSLC18A3GRIN2B
SCHEMBL16437277 0.78 TP53 (0.43) TLR9TLR8TLR7SLC18A3MAP3K12
SCHEMBL20457839 0.78 MAP3K12 (0.43) TLR9TLR8TLR7SLC18A3MAP3K12

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
US-10344040-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2019-07-09 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2018-06-28 US disclosed
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2018-06-28 US disclosed
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2017-03-16 US disclosed
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2017-03-16 US disclosed
US-9505785-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2016-11-29 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 US disclosed
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2014-02-27 US disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 US disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 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 (7 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-10344040-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK TLR9 705/4885TLR8 1003/4885TLR7 457/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TLR9 3502/4885TLR8 3481/4885TLR7 3524/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TLR9 3502/4885TLR8 3481/4885TLR7 3524/4885
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK TLR9 705/4885TLR8 1003/4885TLR7 457/4885
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK TLR9 705/4885TLR8 1003/4885TLR7 457/4885
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK TLR9 705/4885TLR8 1003/4885TLR7 457/4885
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK TLR9 648/4885TLR8 843/4885TLR7 274/4885

“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.