Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | GLS | O94925 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 4/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 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 | |
|---|---|---|---|---|
| SCHEMBL506165 | 1.00 | HTR2C (0.36) | HTR2CSLC6A4GRM2GLSRIPK1 | |
| SCHEMBL506457 | 0.86 | GRM2 (0.40) | HTR2CSLC6A4GRM2GLSRIPK1 | |
| SCHEMBL2635668 | 0.82 | TDP1 (0.38) | RIPK1POLBMAPTRAB9A | |
| SCHEMBL2635667 | 0.82 | TDP1 (0.38) | RIPK1POLBMAPTRAB9A | |
| SCHEMBL14838597 | 0.80 | NPC1 (0.40) | HTR2CSLC6A4RIPK1MAPTRAB9A | |
| SCHEMBL2637768 | 0.80 | NPC1 (0.40) | HTR2CSLC6A4RIPK1MAPTRAB9A | |
| SCHEMBL2637771 | 0.80 | NPC1 (0.40) | HTR2CSLC6A4RIPK1MAPTRAB9A | |
| SCHEMBL18416938 | 0.79 | SSTR4 (0.40) | HTR2CSLC6A4GRM2GLSRIPK1 | |
| SCHEMBL506678 | 0.78 | HTR2C (0.38) | HTR2CSLC6A4GRM2GLSRIPK1 | |
| SCHEMBL506679 | 0.78 | HTR2C (0.38) | HTR2CSLC6A4GRM2GLSRIPK1 |
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 10 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-20150239874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2015-08-27 | — | — | US | disclosed |
| US-9096584-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-08-04 | — | — | US | disclosed |
| EP-2569284-B1 | 2-AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2015-07-08 | — | — | EP | disclosed |
| EP-2569284-A1 | 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| US-20120177748-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | 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-2011143422-A1 | 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | 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 (3 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 | HTR2C 4405/4885SLC6A4 4773/4885GRM2 2709/4885 |
| US-20150239874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K20 | HTR2C 4621/4885SLC6A4 4686/4885GRM2 3251/4885 |
| US-20120177748-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K20 | HTR2C 4621/4885SLC6A4 4686/4885GRM2 3251/4885 |
“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.