Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.49 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6171120 | 0.86 | CYP2A6 (0.51) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL25871383 | 0.84 | CYP2A6 (0.56) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL3424504 | 0.84 | CYP2A6 (0.56) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL14493330 | 0.82 | CYP2A6 (0.54) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL13393530 | 0.82 | NPC1 (0.64) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL16405697 | 0.82 | AXL (0.51) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL16405700 | 0.81 | CYP2A6 (0.46) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL7089008 | 0.79 | CYP2A6 (0.51) | CYP2A6CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12326409 | 0.79 | AKR1C3 (0.57) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL29450634 | 0.79 | TDO2 (0.54) | CYP2A6MAPTCYP17A1CYP3A4TDO2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7560462-B2 | Compounds useful for inhibiting CHK1 | ICOS CORPORATION (US) | 2009-07-14 | — | — | US | disclosed |
| US-20080214573-A1 | Compounds Useful for Inhibiting Chk1 | ICOS CORPORATION (US) | 2008-09-04 | — | — | US | disclosed |
| CN-101010316-A | Compounds useful for inhibiting CHK1 | ICOS CORP (US) | 2007-08-01 | — | — | CN | disclosed |
| EP-1768977-A2 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | ICOS Corporation (US) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006014359-A2 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | ICOS CORPORATION (US) | 2006-02-09 | — | — | WO | disclosed |
| EP-1562908-A1 | QUINOLINE DERIVATIVES | Pfizer Products Inc. (US) | 2005-08-17 | — | — | EP | disclosed |
| US-6894062-B1 | Quinoline derivatives | PFIZER INC. (US) | 2005-05-17 | — | — | US | disclosed |
| WO-2004043929-A1 | QUINOLINE DERIVATIVES | PFIZER PRODUCTS INC. (US) | 2004-05-27 | — | — | 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 (1 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-20080214573-A1 | Compounds Useful for Inhibiting Chk1 | ORC3, MCM3, CHEK1 | CYP2A6 3778/4885NPC1 2020/4885RAB9A 2263/4885 |
“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.