Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.40 |
| ▸ | RAB9A | P51151 | 8/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.40 |
| ▸ | TSHR | P16473 | 6/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2640799 | 0.96 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2TSHRTP53 | |
| SCHEMBL2640819 | 0.87 | ATR (0.36) | NPC1RAB9ASMN1; SMN2TSHRTP53 | |
| SCHEMBL2640968 | 0.86 | ATR (0.36) | NPC1RAB9ASMN1; SMN2TSHRTP53 | |
| SCHEMBL12183912 | 0.84 | ABCG2 (0.38) | NPC1RAB9ASMN1; SMN2TSHRTP53 | |
| SCHEMBL12184187 | 0.84 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2TSHRTP53 | |
| SCHEMBL12183897 | 0.84 | ATR (0.36) | NPC1RAB9ASMN1; SMN2TSHRTP53 | |
| SCHEMBL559979 | 0.81 | ATR (0.42) | ATR | |
| SCHEMBL29458708 | 0.81 | ATR (0.42) | ATR | |
| SCHEMBL2384700 | 0.80 | MAPT (0.41) | NPC1RAB9ASMN1; SMN2TSHRTP53 | |
| SCHEMBL2505394 | 0.79 | ATR (0.57) | ATR |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150239874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2015-08-27 | — | — | US | disclosed |
| US-20150239874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2015-08-27 | — | — | 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 |
| US-9096584-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-08-04 | — | — | 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-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-20120177748-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120177748-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| WO-2011143422-A1 | 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | 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 (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-20150239874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K20 | NPC1 4041/4885RAB9A 2627/4885SMN1; SMN2 1533/4885 |
| US-20120177748-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K20 | NPC1 4041/4885RAB9A 2627/4885SMN1; SMN2 1533/4885 |
“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.