Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 3/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18779091 | 0.76 | KDM4E (0.33) | ADORA3ADORA2AKDM4E | |
| SCHEMBL30940150 | 0.71 | EGFR (0.47) | ADORA3ADORA2AADORA1ALDH1A1LMNA | |
| SCHEMBL21339635 | 0.71 | EGFR (0.47) | ADORA3ADORA2AADORA1ALDH1A1LMNA | |
| SCHEMBL15900504 | 0.70 | ATR (0.36) | BACE1BACE2KDM4E | |
| SCHEMBL14983462 | 0.69 | ALDH1A1 (0.45) | ADORA3ADORA2AADORA1ALDH1A1LMNA | |
| SCHEMBL14358175 | 0.68 | MAP4K4 (0.48) | ADORA3ADORA2AADORA1ALDH1A1LMNA | |
| SCHEMBL11222083 | 0.67 | POLB (0.36) | ALDH1A1SMN1; SMN2KMT2AMAPTHPGD | |
| SCHEMBL11223761 | 0.67 | SIRT6 (0.33) | ALDH1A1SMN1; SMN2KMT2AMAPTHPGD | |
| SCHEMBL27677660 | 0.67 | NNMT (0.35) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL29299460 | 0.67 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3148996-B1 | C2-CARBOCYCLIC IMINOTHIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2021-05-05 | — | — | EP | disclosed |
| EP-3148996-B1 | C2-CARBOCYCLIC IMINOTHIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2021-05-05 | — | — | EP | disclosed |
| US-20170369484-A1 | IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | US | disclosed |
| US-9732088-B2 | C2-carbocyclic iminothiazine dioxides as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |
| US-9732088-B2 | C2-carbocyclic iminothiazine dioxides as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |
| US-20170114065-A1 | C2-CARBOCYCLIC IMINOTHIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-04-27 | — | — | US | disclosed |
| US-20170114065-A1 | C2-CARBOCYCLIC IMINOTHIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-04-27 | — | — | US | disclosed |
| WO-2016118404-A1 | IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2016-07-28 | — | — | WO | disclosed |
| WO-2015187437-A1 | C2-CARBOCYCLIC IMINOTHIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2015-12-10 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170369484-A1 | IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | BACE1, BACE2, APP | ADORA3 521/4885ADORA2A 348/4885ADORA1 206/4885 |
| US-20170114065-A1 | C2-CARBOCYCLIC IMINOTHIAZINE DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | BACE2, BACE1, APP | ADORA3 562/4885ADORA2A 465/4885ADORA1 492/4885 |
“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.