Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Allitinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 18/20 | 0.82 |
| ▸ | ERBB2 known ✓ | P04626 | 18/20 | 0.82 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.82 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| Allitinib SCHEMBL29402600 | 1.00 | EGFR (0.82) | EGFRERBB2ERBB4ABCB11 | |
| Allitinib SCHEMBL29354831 | 0.91 | EGFR (1.00) | EGFRERBB2ERBB4 | |
| Allitinib SCHEMBL233985 | 0.91 | EGFR (1.00) | EGFRERBB2ERBB4 | |
| Allitinib SCHEMBL31732812 | 0.91 | EGFR (1.00) | EGFRERBB2ERBB4 | |
| Allitinib SCHEMBL1402417 | 0.90 | EGFR (0.98) | EGFRERBB2ERBB4 | |
| SCHEMBL14975108 | 0.86 | EGFR (0.60) | EGFRERBB2ERBB4ABCB11 | |
| SCHEMBL2754156 | 0.86 | EGFR (0.82) | EGFRERBB2ERBB4 | |
| SCHEMBL3152328 | 0.85 | EGFR (0.82) | EGFRERBB2ERBB4 | |
| SCHEMBL2511154 | 0.84 | EGFR (0.69) | EGFRERBB2ERBB4ABCB11 | |
| SCHEMBL2249040 | 0.84 | EGFR (0.85) | EGFRERBB2ERBB4 |
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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9102629-B2 | Polymorphic forms of 4-phenylamine quinazoline derivative, the preparation method and uses thereof | SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) | 2015-08-11 | — | — | US | claimed |
| US-20150133476-A1 | Polymorphic forms of 4-phenylamino quinazoline derivative, the preparation method and uses thereof | SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) | 2015-05-14 | — | — | US | claimed |
| US-8937079-B2 | Polymorph forms of 4-anilinoquinazoline derivatives, the preparation methods and uses thereof | SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) | 2015-01-20 | — | — | US | claimed |
| WO-2014179528-A2 | COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS | BROWN DENNIS M (US) | 2014-11-06 | — | — | WO | claimed |
| EP-2269994-B1 | THE POLYMORPHS OF 4-ANILINOQUINAZOLINE DERIVATIVES, THE PREPARATION METHODS AND USES THEREOF | SHANGHAI ALLIST PHARMACEUTICALS INC (CN) | 2014-08-06 | — | — | EP | claimed |
| EP-2292234-B1 | COMPOSITIONS COMPRISING QUINAZOLINE DERIVATIVES, PREPARATION METHODS AND USES THEREOF | SHANGHAI ALLIST PHARMACEUTICALS INC (CN) | 2014-07-23 | — | — | EP | claimed |
| US-8507010-B2 | Compositions comprising quinazoline derivatives | SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) | 2013-08-13 | — | — | US | claimed |
| US-20130137711-A1 | POLYMORPH FORMS OF 4-ANILINOQUINAZOLINE DERIVATIVES, THE PREPARATION METHODS AND USES THEREOF | SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) | 2013-05-30 | — | — | US | claimed |
| US-20120004249-A1 | The polymorph forms of 4-anilinoquinazoline derivatives, the preparation methods and uses thereof | SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) | 2012-01-05 | — | — | US | claimed |
| US-20110111059-A1 | Compositions Comprising Quinazoline Derivatives, Preparation Methods and Uses Thereof | SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) | 2011-05-12 | — | — | US | claimed |
| EP-2292234-A1 | COMPOSITIONS COMPRISING QUINAZOLINE DERIVATIVES, PREPARATION METHODS AND USES THEREOF | Shanghai Allist Pharmaceuticals, Inc. (CN) | 2011-03-09 | — | — | EP | claimed |
| EP-2269994-A1 | THE POLYMORPHS OF 4-ANILINOQUINAZOLINE DERIVATIVES, THE PREPARATION METHODS AND USES THEREOF | Shanghai Allist Pharmaceutical., Inc. (CN) | 2011-01-05 | — | — | EP | claimed |
| US-11147800-B2 | Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof | RACE ONCOLOGY LTD. (AU) | 2021-10-19 | — | — | US | disclosed |
| US-11135201-B2 | Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof | RACE ONCOLOGY LTD. (AU) | 2021-10-05 | — | — | US | disclosed |
| US-20200163940-A1 | COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF | RACE ONCOLOGY LTD. (AU) | 2020-05-28 | — | — | US | disclosed |
| US-20200163939-A1 | COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF | SG CREDIT PARTNERS, INC. | 2020-05-28 | — | — | US | disclosed |
| US-20110111059-A1 | Compositions Comprising Quinazoline Derivatives, Preparation Methods and Uses Thereof | SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) | 2011-05-12 | — | — | US | disclosed |
| EP-2292234-A1 | COMPOSITIONS COMPRISING QUINAZOLINE DERIVATIVES, PREPARATION METHODS AND USES THEREOF | Shanghai Allist Pharmaceuticals, Inc. (CN) | 2011-03-09 | — | — | EP | disclosed |
| EP-2269994-A1 | THE POLYMORPHS OF 4-ANILINOQUINAZOLINE DERIVATIVES, THE PREPARATION METHODS AND USES THEREOF | Shanghai Allist Pharmaceutical., Inc. (CN) | 2011-01-05 | — | — | EP | disclosed |
| EP-2269994-A1 | THE POLYMORPHS OF 4-ANILINOQUINAZOLINE DERIVATIVES, THE PREPARATION METHODS AND USES THEREOF | Shanghai Allist Pharmaceutical., Inc. (CN) | 2011-01-05 | — | — | EP | 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 (8 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-20110111059-A1 | Compositions Comprising Quinazoline Derivatives, Preparation Methods and Uses Thereof | ERBB2, ERBB4, ERBB3 | EGFR 9/4885ERBB2 1/4885ERBB4 2/4885 |
| US-20150133476-A1 | Polymorphic forms of 4-phenylamino quinazoline derivative, the preparation method and uses thereof | CYP2D6, ABCG2, CYP3A43 | EGFR 4165/4885ERBB2 3568/4885ERBB4 2807/4885 |
| US-20200163939-A1 | COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF | CYP3A43, CYP11B1, MCL1 | EGFR 2297/4885ERBB2 1593/4885ERBB4 2915/4885 |
| US-11135201-B2 | Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof | CYP3A43, HCCS, MCL1 | EGFR 1810/4885ERBB2 2165/4885ERBB4 3481/4885 |
| US-11147800-B2 | Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof | CYP3A43, CYP11B1, MCL1 | EGFR 2297/4885ERBB2 1593/4885ERBB4 2915/4885 |
| US-20120004249-A1 | The polymorph forms of 4-anilinoquinazoline derivatives, the preparation methods and uses thereof | ABCG2, CYP3A4, CYP3A43 | EGFR 4119/4885ERBB2 3264/4885ERBB4 2396/4885 |
| US-20200163940-A1 | COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF | CYP3A43, HCCS, MCL1 | EGFR 1810/4885ERBB2 2165/4885ERBB4 3481/4885 |
| US-20130137711-A1 | POLYMORPH FORMS OF 4-ANILINOQUINAZOLINE DERIVATIVES, THE PREPARATION METHODS AND USES THEREOF | CYP3A43, CYP3A4, ABCG2 | EGFR 4087/4885ERBB2 3194/4885ERBB4 2287/4885 |
“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.