Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14716284 | 0.90 | CYP3A4 (0.57) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL26636080 | 0.86 | GAA (0.59) | CYP3A4HSD17B10GAASIGMAR1TSHR | |
| SCHEMBL12596337 | 0.85 | CYP3A4 (0.51) | CYP3A4HSD17B10GAASIGMAR1OPRL1 | |
| SCHEMBL16684766 | 0.84 | OPRL1 (0.51) | CYP3A4HSD17B10GAASIGMAR1OPRL1 | |
| SCHEMBL12465471 | 0.84 | CYP3A4 (0.50) | CYP3A4HSD17B10GAASIGMAR1OPRL1 | |
| Ammonia Solution, Strong SCHEMBL4506269 | 0.84 | CYP3A4 (0.50) | CYP3A4HSD17B10GAASIGMAR1OPRL1 | |
| SCHEMBL28282362 | 0.81 | CYP2D6 (0.51) | CYP3A4GAAOPRL1TSHRCYP2D6 | |
| Ammonia Solution, Strong SCHEMBL4560455 | 0.80 | CYP2D6 (0.47) | CYP3A4HSD17B10GAASIGMAR1OPRL1 | |
| SCHEMBL950871 | 0.80 | CYP3A4 (0.53) | CYP3A4HSD17B10GAASIGMAR1OPRL1 | |
| SCHEMBL13201397 | 0.80 | CYP3A4 (0.53) | CYP3A4HSD17B10GAASIGMAR1OPRL1 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016042451-A1 | 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |
| US-8008298-B2 | Pyrrolopyrazine kinase inhibitors | Roche Palo Alto (US) | 2011-08-30 | — | — | US | disclosed |
| US-8008298-B2 | Pyrrolopyrazine kinase inhibitors | Roche Palo Alto (US) | 2011-08-30 | — | — | US | disclosed |
| US-20100267666-A1 | Pyrrolopyrazine kinase inhibitors | ROCHE PALO ALTO LLC | 2010-10-21 | — | — | US | disclosed |
| US-20100267666-A1 | Pyrrolopyrazine kinase inhibitors | ROCHE PALO ALTO LLC | 2010-10-21 | — | — | US | disclosed |
| US-7691850-B2 | Antibacterial agents | GLAXO GROUP LIMITED (GB) | 2010-04-06 | — | — | US | disclosed |
| US-7691850-B2 | Antibacterial agents | GLAXO GROUP LIMITED (GB) | 2010-04-06 | — | — | US | disclosed |
| US-7691850-B2 | Antibacterial agents | GLAXO GROUP LIMITED (GB) | 2010-04-06 | — | — | US | disclosed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |
| EP-1796466-A4 | ANTIBACTERIAL AGENTS | GLAXO GROUP LTD (GB) | 2009-09-02 | — | — | EP | disclosed |
| US-20070287701-A1 | 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli | SMITHKLINE BEECHAM CORPORATION | 2007-12-13 | — | — | US | disclosed |
| US-20070287701-A1 | 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli | SMITHKLINE BEECHAM CORPORATION | 2007-12-13 | — | — | US | disclosed |
| EP-1796466-A2 | ANTIBACTERIAL AGENTS | GLAXO GROUP LIMITED (GB) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006002047-A2 | ANTIBACTERIAL AGENTS | GLAXO GROUP LIMITED (GB) | 2006-01-05 | — | — | WO | disclosed |
| EP-0255908-B1 | 7-[[3-(aminomethyl)-3-alkyl]-1-pyrrolidinyl]-quinoline-carboxylic acid-derivatives and pharmaceutical compositions containing them | WARNER LAMBERT CO (US) | 1994-10-19 | — | — | EP | disclosed |
| EP-0304087-B1 | Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent | WARNER LAMBERT CO (US) | 1994-03-30 | — | — | EP | disclosed |
| US-4851418-A | Naphthyridine antibacterial agents containing an α-amino acid in the side chain of the 7-substituent | WARNER-LAMBERT COMPANY (US) | 1989-07-25 | — | — | US | disclosed |
| EP-0304087-A2 | Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent | WARNER-LAMBERT COMPANY (US) | 1989-02-22 | — | — | EP | disclosed |
| US-4771055-A | BACTERICIDES | WARNER-LAMBERT COMPANY (US) | 1988-09-13 | — | — | US | disclosed |
| EP-0255908-A2 | 7-[[3-(aminomethyl)-3-alkyl]-1-pyrrolidinyl]-quinoline-carboxylic acid-derivatives and pharmaceutical compositions containing them | WARNER-LAMBERT COMPANY (US) | 1988-02-17 | — | — | EP | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070287701-A1 | 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli | NPM1, TOP1, HMGB1 | CYP3A4 913/4885HSD17B10 4224/4885GAA 2995/4885 |
| US-20100267666-A1 | Pyrrolopyrazine kinase inhibitors | SYK, ZAP70, TYK2 | CYP3A4 2784/4885HSD17B10 4037/4885GAA 3155/4885 |
“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.