Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Whi-P131. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 known ✓ | P52333 | 2/20 | 0.97 |
| ▸ | EGFR | P00533 | 12/20 | 1.00 |
| ▸ | LCK | P06239 | 5/20 | 1.00 |
| ▸ | KDR | P35968 | 10/20 | 0.97 |
| ▸ | RET | P07949 | 6/20 | 0.97 |
| ▸ | GAK | O14976 | 1/20 | 0.97 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.97 |
| ▸ | STK10 | O94804 | 1/20 | 0.97 |
| ▸ | FLT3 | P36888 | 1/20 | 0.97 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.97 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.97 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.97 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.97 |
| ▸ | RPS6KA6 | Q9UK32 | 1/20 | 0.97 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.97 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.75 |
| ▸ | KIF5B | P33176 | 4/20 | 0.74 |
| ▸ | FLT1 | P17948 | 2/20 | 0.74 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.73 |
| ▸ | CLK1 | P49759 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| Whi-P131 SCHEMBL29369589 | 0.99 | EGFR (1.00) | EGFRLCKKDRRETJAK3 | |
| Whi-P131 SCHEMBL29295 | 0.99 | EGFR (1.00) | EGFRLCKKDRRETJAK3 | |
| SCHEMBL20792806 | 0.92 | EGFR (0.87) | EGFRLCKKDRRETJAK3 | |
| Hydrochloric Acid SCHEMBL5473795 | 0.88 | EGFR (0.80) | EGFRLCKKDRRETJAK3 | |
| Hydrochloric Acid SCHEMBL8871198 | 0.88 | EGFR (0.80) | EGFRLCKKDRRETJAK3 | |
| Hydrochloric Acid SCHEMBL5479915 | 0.88 | EGFR (1.00) | EGFRLCKKDRRETJAK3 | |
| Hydrochloric Acid SCHEMBL5479908 | 0.88 | EGFR (0.97) | EGFRLCKKDRRETJAK3 | |
| Hydrochloric Acid SCHEMBL1507577 | 0.86 | EGFR (0.78) | EGFRLCKKDRRETJAK3 | |
| Hydrochloric Acid SCHEMBL5471121 | 0.86 | EGFR (1.00) | EGFRLCKKDRRETJAK3 | |
| Hydrochloric Acid SCHEMBL29623261 | 0.86 | EGFR (1.00) | EGFRLCKKDRRETJAK3 |
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-10548897-B2 | KSR antagonists | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2020-02-04 | — | — | US | disclosed |
| US-20180256577-A1 | KSR Antagonists | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2018-09-13 | — | — | US | disclosed |
| EP-3283466-A1 | KSR ANTAGONISTS | Icahn School of Medicine at Mount Sinai (US) | 2018-02-21 | — | — | EP | disclosed |
| WO-2016168704-A1 | KSR ANTAGONISTS | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2016-10-20 | — | — | WO | disclosed |
| CN-103254140-A | Novel <18>F marked substituted quinazoline compound, and preparation method and tumor PET development application thereof | UNIV BEIJING NORMAL | 2013-08-21 | — | — | CN | disclosed |
| US-7081461-B1 | Quinazoline compounds and pharmaceutical compositions containing them | ASTRAZENECA AB (SE) | 2006-07-25 | — | — | US | disclosed |
| EP-1218356-A1 | QUINAZOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | AstraZeneca AB (SE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001021594-A1 | QUINAZOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ASTRAZENECA AB (SE) | 2001-03-29 | — | — | 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-10548897-B2 | KSR antagonists | KSR1, KSR2, KRAS | JAK3 2144/4885EGFR 182/4885LCK 728/4885 |
| US-20180256577-A1 | KSR Antagonists | KSR1, KSR2, KRAS | JAK3 2144/4885EGFR 182/4885LCK 728/4885 |
“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.