Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Entrectinib. 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 | |
|---|---|---|---|---|
| ▸ | ALK known ✓ | Q9UM73 | 20/20 | 1.00 |
| ▸ | NTRK1 known ✓ | P04629 | 1/20 | 1.00 |
| ▸ | ROS1 known ✓ | P08922 | 1/20 | 1.00 |
| ▸ | NTRK3 known ✓ | Q16288 | 1/20 | 1.00 |
| ▸ | NTRK2 known ✓ | Q16620 | 1/20 | 1.00 |
| ▸ | INSR | P06213 | 20/20 | 1.00 |
| ▸ | IGF1R | P08069 | 14/20 | 1.00 |
| ▸ | AURKA | O14965 | 3/20 | 1.00 |
| ▸ | AURKB | Q96GD4 | 3/20 | 1.00 |
| ▸ | PLK4 | O00444 | 1/20 | 1.00 |
| ▸ | DAPK3 | O43293 | 1/20 | 1.00 |
| ▸ | JAK2 | O60674 | 1/20 | 1.00 |
| ▸ | MAP4K4 | O95819 | 1/20 | 1.00 |
| ▸ | ABL1 | P00519 | 1/20 | 1.00 |
| ▸ | PRKCG | P05129 | 1/20 | 1.00 |
| ▸ | LCK | P06239 | 1/20 | 1.00 |
| ▸ | FYN | P06241 | 1/20 | 1.00 |
| ▸ | CSF1R | P07333 | 1/20 | 1.00 |
| ▸ | LYN | P07948 | 1/20 | 1.00 |
| ▸ | RET | P07949 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Entrectinib SCHEMBL29394152 | 1.00 | INSR (1.00) | INSRALKIGF1RAURKAAURKB | |
| Entrectinib SCHEMBL29358922 | 1.00 | INSR (1.00) | INSRALKIGF1RAURKAAURKB | |
| SCHEMBL3511865 | 0.97 | INSR (0.95) | INSRALKIGF1RAURKAAURKB | |
| Entrectinib SCHEMBL21802358 | 0.95 | INSR (0.91) | INSRALKIGF1RAURKAAURKB | |
| SCHEMBL21966315 | 0.94 | INSR (0.89) | INSRALKIGF1RAURKAAURKB | |
| SCHEMBL3514081 | 0.94 | INSR (1.00) | INSRALKIGF1RAURKAAURKB | |
| SCHEMBL3511962 | 0.94 | INSR (0.89) | INSRALKIGF1RAURKAAURKB | |
| SCHEMBL21700375 | 0.94 | INSR (0.89) | INSRALKIGF1RAURKAAURKB | |
| SCHEMBL3510936 | 0.94 | ALK (1.00) | INSRALKIGF1RAURKAAURKB | |
| Entrectinib SCHEMBL21802362 | 0.94 | INSR (0.88) | INSRALKIGF1RAURKAAURKB |
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 544 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119909073-A | Novel pharmaceutical formulations | 豪夫迈·罗氏有限公司 | 2025-05-02 | — | — | CN | claimed |
| CN-111225662-B | Pharmaceutical compositions and dosage forms | 伊尼塔公司 | 2022-11-22 | — | — | CN | claimed |
| US-20220218699-A1 | New Pharmaceutical Formulation | HOFFMANN-LA ROCHE INC. (US) | 2022-07-14 | — | — | US | claimed |
| EP-4003309-A1 | NEW PHARMACEUTICAL FORMULATION | F. Hoffmann-La Roche AG (CH) | 2022-06-01 | — | — | EP | claimed |
| US-20220144813-A1 | SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2022-05-12 | — | — | US | claimed |
| CN-114206341-A | Novel pharmaceutical formulations | 豪夫迈·罗氏有限公司 | 2022-03-18 | — | — | CN | claimed |
| US-11253515-B2 | Pharmaceutical compositions and dosage forms | IGNYTA, INC. (US) | 2022-02-22 | — | — | US | claimed |
| US-11091469-B2 | Crystalline form of N-[5-(3,5-difluoro-benzyl)-1H-indazol-3-yl]-4-(4-methyl-piperazin-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzamide | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2021-08-17 | — | — | US | claimed |
| US-20210164055-A1 | POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME | ARRAY BIOPHARMA, INC. | 2021-06-03 | — | — | US | claimed |
| US-11007191-B2 | Pharmaceutical compositions and dosage forms | IGNYTA, INC. (US) | 2021-05-18 | — | — | US | claimed |
| WO-2015124697-A1 | COMPOUNDS FOR TREATING PATIENTS WITH ROS1 MUTANT CANCER CELLS | IGNYTA, INC. (US) | 2015-08-27 | — | — | WO | claimed |
| US-9085565-B2 | Process for the preparation of N-[5-(3,5-difluoro-benzyl)-1H-indazol-3-yl]-4-(4-methyl-piperazin-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzamide | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2015-07-21 | — | — | US | claimed |
| US-9085558-B2 | Substituted indazole derivatives active as kinase inhibitors | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2015-07-21 | — | — | US | claimed |
| US-20150065520-A1 | SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2015-03-05 | — | — | US | claimed |
| US-20150057291-A1 | SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2015-02-26 | — | — | US | claimed |
| US-20150051222-A1 | PROCESS FOR THE PREPARATION OF N-[5-(3,5-DIFLUORO-BENZYL)-1H-INDAZOL-3-YL]-4-(4-METHYL-PIPERAZIN-1-YL)-2-(TETRAHYDRO-PYRAN-4-YLAMINO)-BENZAMIDE | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2015-02-19 | — | — | US | claimed |
| US-8299057-B2 | Substituted indazole derivatives active as kinase inhibitors | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2012-10-30 | — | — | US | claimed |
| US-20100292207-A1 | SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2010-11-18 | — | — | US | claimed |
| EP-2176231-A1 | SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | Nerviano Medical Sciences S.r.l. (IT) | 2010-04-21 | — | — | EP | claimed |
| WO-2009013126-A1 | SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2009-01-29 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (10 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-20100292207-A1 | SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | MAP3K19, MAP3K3, MAP3K5 | ALK 401/4885NTRK1 1510/4885ROS1 227/4885 |
| US-20150051222-A1 | PROCESS FOR THE PREPARATION OF N-[5-(3,5-DIFLUORO-BENZYL)-1H-INDAZOL-3-YL]-4-(4-METHYL-PIPERAZIN-1-YL)-2-(TETRAHYDRO-PYRAN-4-YLAMINO)-BENZAMIDE | MAP4K2, MAP3K2, MAP3K5 | ALK 564/4885NTRK1 803/4885ROS1 516/4885 |
| US-11091469-B2 | Crystalline form of N-[5-(3,5-difluoro-benzyl)-1H-indazol-3-yl]-4-(4-methyl-piperazin-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzamide | CSNK2A1, CSNK2A2, CSNK1A1 | ALK 932/4885NTRK1 1801/4885ROS1 668/4885 |
| US-20210164055-A1 | POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME | NTRK3, NTRK1, NTRK2 | ALK 89/4885NTRK1 2/4885ROS1 914/4885 |
| US-20220218699-A1 | New Pharmaceutical Formulation | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, DPYD | ALK 781/4885NTRK1 3914/4885ROS1 4706/4885 |
| US-11007191-B2 | Pharmaceutical compositions and dosage forms | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, CYP3A5 | ALK 1045/4885NTRK1 4510/4885ROS1 4374/4885 |
| US-20150065520-A1 | SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | MAP3K19, ABL1, MAP3K20 | ALK 397/4885NTRK1 1467/4885ROS1 86/4885 |
| US-20220144813-A1 | SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | MAP3K19, ABL1, MAP3K20 | ALK 397/4885NTRK1 1467/4885ROS1 86/4885 |
| US-11253515-B2 | Pharmaceutical compositions and dosage forms | CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS | ALK 1518/4885NTRK1 4511/4885ROS1 4806/4885 |
| US-20150057291-A1 | SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS | MAP3K19, ABL1, MAP3K20 | ALK 397/4885NTRK1 1467/4885ROS1 86/4885 |
“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.