Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 19/20 | 0.98 |
| ▸ | PBK | Q96KB5 | 4/20 | 0.78 |
| ▸ | CCNK | O75909 | 1/20 | 0.78 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.78 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL2553116 | 1.00 | NEK1 (0.98) | NEK1PBKCCNKCDK12 | |
| SCHEMBL2554475 | 0.99 | NEK1 (1.00) | NEK1PBKCCNKCDK12 | |
| SCHEMBL2552202 | 0.99 | NEK1 (1.00) | NEK1PBKCCNKCDK12 | |
| SCHEMBL2552201 | 0.99 | NEK1 (1.00) | NEK1PBKCCNKCDK12 | |
| Hydrochloric Acid SCHEMBL2579904 | 0.98 | NEK1 (0.98) | NEK1PBKCCNKCDK12 | |
| Hydrochloric Acid SCHEMBL2551006 | 0.98 | NEK1 (0.98) | NEK1PBKCCNKCDK12 | |
| Hydrochloric Acid SCHEMBL2551010 | 0.98 | NEK1 (0.98) | NEK1PBKCCNKCDK12 | |
| SCHEMBL2559347 | 0.90 | NEK1 (1.00) | NEK1PBKCCNKCDK12 | |
| SCHEMBL15096619 | 0.89 | NEK1 (0.81) | NEK1PBKCCNKCDK12 | |
| SCHEMBL2549285 | 0.89 | NEK1 (0.81) | NEK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9453025-B2 | Tricyclic compounds and PBK inhibitors containing the same | ONCOTHERAPY SCIENCE, INC. (JP) | 2016-09-27 | — | — | US | disclosed |
| EP-2552206-B1 | TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE INC (JP) | 2015-07-22 | — | — | EP | disclosed |
| US-20150183799-A1 | Tricyclic Compounds and PBK Inhibitors Containing the Same | ONCOTHERAPY SCIENCE INC (JP) | 2015-07-02 | — | — | US | disclosed |
| US-8962648-B2 | Tricyclic compounds and PBK inhibitors containing the same | ONCOTHERAPY SCIENCE, INC. (JP) | 2015-02-24 | — | — | US | disclosed |
| US-20130178459-A1 | TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2013-07-11 | — | — | US | disclosed |
| EP-2552206-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011123419-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2011-10-06 | — | — | 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-20130178459-A1 | TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | PBDC1, SBK1, PLK2 | NEK1 62/4885PBK 10/4885CCNK 152/4885 |
| US-20150183799-A1 | Tricyclic Compounds and PBK Inhibitors Containing the Same | PBDC1, SBK1, PLK2 | NEK1 62/4885PBK 10/4885CCNK 152/4885 |
“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.