Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 3/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL22655366 | 0.84 | BMPR1B (0.39) | PTGS2AHRKDM4ENPC1RAB9A | |
| SCHEMBL506398 | 0.82 | PTGS2 (0.35) | PTGS2AHRKDM4EKMT2ARXFP1 | |
| SCHEMBL28645389 | 0.79 | ALDH1A1 (0.38) | AHRKDM4ENPC1RAB9AGAA | |
| SCHEMBL506044 | 0.79 | ADORA2A (0.38) | PTGS2ALDH1A1LMNA | |
| SCHEMBL506213 | 0.75 | PTGS2 (0.45) | PTGS2KDM4EKMT2AALDH1A1 | |
| SCHEMBL506500 | 0.74 | KDM4E (0.32) | AHRKDM4ENPC1RAB9AGAA | |
| SCHEMBL22655338 | 0.74 | PTGS2 (0.31) | PTGS2NPC1RAB9AGAAKMT2A | |
| SCHEMBL505945 | 0.72 | FPR2 (0.46) | KDM4ENPC1RAB9AGAAKMT2A | |
| SCHEMBL22552042 | 0.71 | ALDH1A1 (0.33) | PTGS2ALDH1A1RXFP1LMNA | |
| SCHEMBL22234683 | 0.70 | PLD1 (0.40) | PTGS2KDM4EALDH1A1POLB |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9630956-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-04-25 | — | — | US | disclosed |
| US-9630956-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-04-25 | — | — | US | disclosed |
| US-9630956-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-04-25 | — | — | US | disclosed |
| EP-2569313-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| US-8314087-B2 | Nitrogen-containing heterocyclyl ketones and methods of use | AMGEN INC. (US) | 2012-11-20 | — | — | US | disclosed |
| US-8314087-B2 | Nitrogen-containing heterocyclyl ketones and methods of use | AMGEN INC. (US) | 2012-11-20 | — | — | US | disclosed |
| US-8314087-B2 | Nitrogen-containing heterocyclyl ketones and methods of use | AMGEN INC. (US) | 2012-11-20 | — | — | US | disclosed |
| US-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-02 | — | — | US | disclosed |
| US-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-02 | — | — | US | disclosed |
| US-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-02 | — | — | US | disclosed |
| WO-2011143426-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |
| WO-2011143426-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |
| EP-2114898-A2 | NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS | Amgen Inc. (US) | 2009-11-11 | — | — | EP | disclosed |
| US-20080280917-A1 | Nitrogen-Containing heterocyclyl ketones and methods of use | AMGEN INC. (US) | 2008-11-13 | — | — | US | disclosed |
| US-20080280917-A1 | Nitrogen-Containing heterocyclyl ketones and methods of use | AMGEN INC. (US) | 2008-11-13 | — | — | US | disclosed |
| US-20080280917-A1 | Nitrogen-Containing heterocyclyl ketones and methods of use | AMGEN INC. (US) | 2008-11-13 | — | — | US | disclosed |
| WO-2008103277-A2 | NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS | AMGEN INC. (US) | 2008-08-28 | — | — | 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-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | PTGS2 2595/4885AHR 2584/4885KDM4E 1834/4885 |
| US-20080280917-A1 | Nitrogen-Containing heterocyclyl ketones and methods of use | HGF, HGFAC, MET | PTGS2 828/4885AHR 257/4885KDM4E 2602/4885 |
“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.