Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Erlotinib. 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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 17/20 | 0.87 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.87 |
| ▸ | GAK | O14976 | 3/20 | 0.87 |
| ▸ | ILK | Q13418 | 2/20 | 0.87 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.87 |
| ▸ | BUB1 | O43683 | 2/20 | 0.87 |
| ▸ | STK10 | O94804 | 2/20 | 0.87 |
| ▸ | ABL1 | P00519 | 2/20 | 0.87 |
| ▸ | LCK | P06239 | 2/20 | 0.87 |
| ▸ | LYN | P07948 | 2/20 | 0.87 |
| ▸ | RET | P07949 | 2/20 | 0.87 |
| ▸ | SRC | P12931 | 2/20 | 0.87 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.87 |
| ▸ | FECH | P22830 | 2/20 | 0.87 |
| ▸ | KDR | P35968 | 2/20 | 0.87 |
| ▸ | FLT3 | P36888 | 2/20 | 0.87 |
| ▸ | MAP3K1 | Q13233 | 2/20 | 0.87 |
| ▸ | PLK4 | O00444 | 1/20 | 0.87 |
| ▸ | CIT | O14578 | 1/20 | 0.87 |
| ▸ | AURKA | O14965 | 1/20 | 0.87 |
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 | |
|---|---|---|---|---|
| Erlotinib SCHEMBL33835 | 0.99 | EGFR (0.89) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL482649 | 0.97 | EGFR (0.89) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL2036692 | 0.96 | EGFR (0.87) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL417841 | 0.94 | EGFR (0.98) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL3826918 | 0.93 | EGFR (0.98) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL29120903 | 0.93 | EGFR (0.96) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL1759094 | 0.93 | EGFR (0.98) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL3667407 | 0.93 | EGFR (1.00) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL30362833 | 0.93 | EGFR (1.00) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL29351329 | 0.93 | EGFR (1.00) | EGFRERBB2GAKILKRIPK2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1076652-B1 | N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMINE MESYLATE ANHYDRATE AND MONOHYDRATE | OSI PHARM INC (US) | 2005-05-18 | — | — | EP | claimed |
| US-20040102463-A1 | N- (3-ethynylphenyl) -6, 7-bis (2-methoxyethoxy) -4-quinazolinamine mesylate anhydrate and monohydrate | OSI PHARMACEUTICALS, INC. | 2004-05-27 | — | — | US | claimed |
| US-6706721-B1 | TREATING HYPERPROLIFERATIVE DISORDERS, SUCH AS CANCER, BY ADMINISTERING ERLOTINIB MESYLATE, AN EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR | OSI PHARMACEUTICALS, INC. | 2004-03-16 | — | — | US | claimed |
| US-7521456-B2 | N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine mesylate anhydrate and monohydrate | OSI PHARMACEUTICALS, INC. (US) | 2009-04-21 | — | — | US | disclosed |
| EP-1076652-B1 | N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMINE MESYLATE ANHYDRATE AND MONOHYDRATE | OSI PHARM INC (US) | 2005-05-18 | — | — | EP | disclosed |
| US-20040102463-A1 | N- (3-ethynylphenyl) -6, 7-bis (2-methoxyethoxy) -4-quinazolinamine mesylate anhydrate and monohydrate | OSI PHARMACEUTICALS, INC. | 2004-05-27 | — | — | US | disclosed |
| US-6706721-B1 | TREATING HYPERPROLIFERATIVE DISORDERS, SUCH AS CANCER, BY ADMINISTERING ERLOTINIB MESYLATE, AN EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR | OSI PHARMACEUTICALS, INC. | 2004-03-16 | — | — | US | disclosed |
| EP-1076652-A1 | N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMINE MESYLATE ANHYDRATE AND MONOHYDRATE | Pfizer Products Inc. (US) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999055683-A1 | N-(3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMINE MESYLATE ANHYDRATE AND MONOHYDRATE | PFIZER PRODUCTS INC. (US) | 1999-11-04 | — | — | 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-20040102463-A1 | N- (3-ethynylphenyl) -6, 7-bis (2-methoxyethoxy) -4-quinazolinamine mesylate anhydrate and monohydrate | MKI67, KRAS, NNMT | EGFR 582/4885ERBB2 343/4885GAK 270/4885 |
“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.