Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5259295 | 0.98 | CDK8 (0.42) | CDK8GSK3AGSK3BCDK9CDK5 | |
| SCHEMBL4279169 | 0.78 | NOS3 (0.43) | NR4A2HSP90AA1HSP90AB1MAP3K14PDE10A | |
| SCHEMBL13577838 | 0.77 | CCR1 (0.52) | CDK8GSK3AGSK3BCDK9CDK5 | |
| SCHEMBL20277757 | 0.77 | CDK8 (0.43) | CDK8GSK3AGSK3BCDK9CDK5 | |
| SCHEMBL3254363 | 0.77 | CDK8 (0.43) | CDK8GSK3AGSK3BCDK9CDK5 | |
| 4-Chloro-6,8-Difluoroquinoline SCHEMBL264453 | 0.77 | CDK8 (0.43) | CDK8GSK3AGSK3BCDK9CDK5 | |
| 4-Chloro-6,8-Difluoroquinoline SCHEMBL30225421 | 0.77 | CDK8 (0.43) | CDK8GSK3AGSK3BCDK9CDK5 | |
| 6,8-Difluoroquinolin-4(1H)-One SCHEMBL2207039 | 0.77 | CDK8 (0.46) | CDK8GSK3AGSK3BCDK9CDK5 | |
| SCHEMBL14147964 | 0.77 | LOXL2 (0.44) | CDK8GSK3AGSK3BCDK9CDK5 | |
| SCHEMBL266205 | 0.77 | DYRK1B (0.40) | CDK8GSK3AGSK3BCDK9CDK5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1399443-B1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2007-12-12 | — | — | EP | claimed |
| US-20070135422-A1 | Nitrogen-containing bicycle heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. | 2007-06-14 | — | — | US | claimed |
| CN-1535272-A | Nitrogen-containing bicyclic heterocycles | ʷ | 2004-10-06 | — | — | CN | claimed |
| US-20040171620-A1 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-09-02 | — | — | US | claimed |
| EP-1399443-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2004-03-24 | — | — | EP | claimed |
| WO-2003087098-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-10-23 | — | — | WO | claimed |
| EP-3351543-A1 | 1-(QUINOLIN-4-YL)-3-(6-(TRIFLUOROMETHYL)-PYRIDIN-2-YL)UREA AND 1-(QUINOLIN-4-YL)-3-(6-(TRIFLUOROMETHYL)-PYRAZINE-2-YL)UREA DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 (GSK-3) INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | AbbVie Deutschland GmbH & Co. KG (DE) | 2018-07-25 | — | — | EP | disclosed |
| US-9540370-B2 | Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors | ABBVIE DEUTSCHLAND GMBH & CO., KG. (DE) | 2017-01-10 | — | — | US | disclosed |
| CN-103476766-B | Heterocyclic compound and they are as the purposes of glycogen synthase kinase-3 inhibitors | ABBVIE德国有限责任两合公司 | 2016-08-10 | — | — | CN | disclosed |
| US-20150274724-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-10-01 | — | — | US | disclosed |
| US-9090592-B2 | Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-07-28 | — | — | US | disclosed |
| EP-2658854-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | Abbvie Deutschland GmbH & Co. KG (DE) | 2013-11-06 | — | — | EP | disclosed |
| US-20120172376-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | ABBOTT GMBH & CO. KG (DE) | 2012-07-05 | — | — | US | disclosed |
| EP-1399443-B1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2007-12-12 | — | — | EP | disclosed |
| US-20070135422-A1 | Nitrogen-containing bicycle heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. | 2007-06-14 | — | — | US | disclosed |
| US-7141564-B2 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. (GB) | 2006-11-28 | — | — | US | disclosed |
| US-20040171620-A1 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-09-02 | — | — | US | disclosed |
| EP-1399443-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2004-03-24 | — | — | EP | disclosed |
| WO-2003087098-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-10-23 | — | — | WO | disclosed |
| WO-2000047576-A1 | CINNAMIDE DERIVATIVES AS OREXIN-1 RECEPTORS ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2000-08-17 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040171620-A1 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | NRDC, NUCB2, NDC1 | CDK8 1996/4885GSK3A 4685/4885GSK3B 4650/4885 |
| US-20070135422-A1 | Nitrogen-containing bicycle heterocycles for use as antibacterials | NRDC, NUCB2, NISCH | CDK8 1353/4885GSK3A 4503/4885GSK3B 4468/4885 |
| US-20150274724-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | GSK3B, GSK3A, GYS2 | CDK8 294/4885GSK3A 2/4885GSK3B 1/4885 |
| US-20120172376-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | GSK3B, GSK3A, GYS2 | CDK8 294/4885GSK3A 2/4885GSK3B 1/4885 |
“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.