Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31090822 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CYP3A4L3MBTL1GAASLC6A4 | |
| SCHEMBL8736775 | 0.81 | GAA (0.48) | L3MBTL1GAASMN1; SMN2KMT2ARAB9A | |
| SCHEMBL2968813 | 0.81 | CYP3A4 (0.62) | ALDH1A1CYP3A4L3MBTL1GAASLC6A4 | |
| SCHEMBL13783391 | 0.81 | TEAD4 (0.61) | ALDH1A1CYP3A4L3MBTL1GAASLC6A4 | |
| SCHEMBL2031421 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP3A4L3MBTL1GAASLC6A4 | |
| SCHEMBL811143 | 0.80 | ALDH1A1 (0.66) | ALDH1A1CYP3A4L3MBTL1GAASLC6A4 | |
| SCHEMBL810461 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CYP3A4L3MBTL1GAASLC6A4 | |
| SCHEMBL13970361 | 0.79 | MAPT (0.71) | ALDH1A1CYP3A4L3MBTL1GAASLC6A4 | |
| SCHEMBL14021979 | 0.78 | KMT2A (0.44) | SLC6A4SLC6A2SLC6A3SMN1; SMN2KMT2A | |
| SCHEMBL4797567 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1379510-B1 | ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHEMOSENSITIZERS | ICOS CORP (US) | 2011-06-01 | — | — | EP | disclosed |
| US-20100105683-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | KEEGAN KATHLEEN S | 2010-04-29 | — | — | US | disclosed |
| US-7608618-B2 | Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 | ICOS CORPORATION (US) | 2009-10-27 | — | — | US | disclosed |
| US-7067506-B2 | Compounds useful for inhibiting Chk1 | ICOS CORPORATION (US) | 2006-06-27 | — | — | US | disclosed |
| US-20050245525-A1 | Compounds useful for inhibiting CHK1 | ICOS CORPORATION (US) | 2005-11-03 | — | — | US | disclosed |
| EP-1379510-A1 | ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS | ICOS CORPORATION (US) | 2004-01-14 | — | — | EP | disclosed |
| US-20030069284-A1 | Compounds useful for inhibiting Chk1 | ICOS CORPORATION (A WASHINGTON CORPORATION) | 2003-04-10 | — | — | US | disclosed |
| WO-2002070494-A1 | ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS | ICOS CORPORATION (US) | 2002-09-12 | — | — | 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-20100105683-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | CHEK1, PCNA, CHEK2 | ALDH1A1 3047/4885CYP3A4 4040/4885L3MBTL1 310/4885 |
| US-20050245525-A1 | Compounds useful for inhibiting CHK1 | CHEK1, PCNA, CHEK2 | ALDH1A1 3047/4885CYP3A4 4040/4885L3MBTL1 310/4885 |
| US-20030069284-A1 | Compounds useful for inhibiting Chk1 | CHEK1, PCNA, CHEK2 | ALDH1A1 3047/4885CYP3A4 4040/4885L3MBTL1 310/4885 |
“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.