Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ceritinib. 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 | 0.98 |
| ▸ | NPM1 known ✓ | P06748 | 1/20 | 0.98 |
| ▸ | EML4 known ✓ | Q9HC35 | 1/20 | 0.98 |
| ▸ | INSR | P06213 | 11/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.98 |
| ▸ | PLK4 | O00444 | 1/20 | 0.98 |
| ▸ | BUB1B | O60566 | 1/20 | 0.98 |
| ▸ | JAK2 | O60674 | 1/20 | 0.98 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.98 |
| ▸ | ABL1 | P00519 | 1/20 | 0.98 |
| ▸ | EGFR | P00533 | 1/20 | 0.98 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.98 |
| ▸ | LCK | P06239 | 1/20 | 0.98 |
| ▸ | FES | P07332 | 1/20 | 0.98 |
| ▸ | LYN | P07948 | 1/20 | 0.98 |
| ▸ | RET | P07949 | 1/20 | 0.98 |
| ▸ | IGF1R | P08069 | 1/20 | 0.98 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.98 |
| ▸ | MET | P08581 | 1/20 | 0.98 |
| ▸ | ROS1 | P08922 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Ceritinib SCHEMBL30053881 | 1.00 | ALK (0.98) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL29810752 | 1.00 | ALK (0.98) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL29489147 | 0.99 | ALK (1.00) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL29349781 | 0.99 | ALK (1.00) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL1014329 | 0.99 | ALK (1.00) | ALKINSRKCNH2PLK4BUB1B | |
| SCHEMBL1545837 | 0.96 | ALK (0.94) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL17879538 | 0.94 | ALK (0.90) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL17879536 | 0.94 | ALK (0.93) | ALKINSRKCNH2PLK4BUB1B | |
| SCHEMBL24852882 | 0.94 | ALK (1.00) | ALKINSRKCNH2PLK4BUB1B | |
| Ceritinib SCHEMBL17879535 | 0.93 | ALK (0.89) | ALKINSRKCNH2PLK4BUB1B |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3453708-B1 | PROCESS FOR THE PREPARATION OF 5-CHLORO-N-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N-2-(ISOPROPYLSULFONYL)PHENYL)-2,4-DIAMINE DI-HYDROCHLORIDE | NOVARTIS AG (CH) | 2021-10-27 | — | — | EP | claimed |
| EP-2651918-B1 | CRYSTALLINE FORMS OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2,4-DIAMINE | NOVARTIS AG (CH) | 2017-07-12 | — | — | EP | claimed |
| WO-2016098070-A1 | CRYSTALLINE FORM OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4-[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2, 4-DIAMINE | NOVARTIS AG (CH) | 2016-06-23 | — | — | WO | claimed |
| US-9309229-B2 | Crystalline forms of 5-chloro-N2-(2-isopropoxy-5-methyl-4-piperidin-4-yl-phenyl)-N4-[2-(propane-2-sulfonyl)-phenyl]-pyrimidine-2, 4-diamine | NOVARTIS AG (CH) | 2016-04-12 | — | — | US | claimed |
| EP-2651918-A1 | CRYSTALLINE FORMS OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2,4-DIAMINE | Novartis AG (CH) | 2013-10-23 | — | — | EP | claimed |
| US-20130274279-A1 | CRYSTALLINE FORMS OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4-[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2, 4-DIAMINE | NOVARTIS AG (CH) | 2013-10-17 | — | — | US | claimed |
| WO-2012082972-A1 | CRYSTALLINE FORMS OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2,4-DIAMINE | NOVARTIS AG (CH) | 2012-06-21 | — | — | WO | claimed |
| CN-114989139-A | Process for preparing pyrimidine-2, 4-diamine dihydrochloride | 诺华股份有限公司 | 2022-09-02 | — | — | CN | disclosed |
| EP-3453708-B1 | PROCESS FOR THE PREPARATION OF 5-CHLORO-N-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N-2-(ISOPROPYLSULFONYL)PHENYL)-2,4-DIAMINE DI-HYDROCHLORIDE | NOVARTIS AG (CH) | 2021-10-27 | — | — | EP | disclosed |
| CN-112125884-A | Process for preparing pyrimidine-2, 4-diamine dihydrochloride | 诺华股份有限公司 | 2020-12-25 | — | — | CN | disclosed |
| EP-3265455-B1 | PROCESS FOR PREPARING CERITINIB AND INTERMEDIATES THEREOF | NOVARTIS AG (CH) | 2020-07-15 | — | — | EP | disclosed |
| US-20200039935-A1 | Chemical Process for Preparing Pyrimidine Derivatives and Intermediates Thereof | SUZHOU NOVARTIS PHARMA TECHNOLOGY CO., LTD (CN) | 2020-02-06 | — | — | US | disclosed |
| EP-3453708-A1 | PROCESS FOR THE PREPARATION OF 5-CHLORO-N-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N-2-(ISOPROPYLSULFONYL)PHENYL)-2,4-DIAMINE DI-HYDROCHLORIDE | Novartis AG (CH) | 2019-03-13 | — | — | EP | disclosed |
| WO-2016098070-A1 | CRYSTALLINE FORM OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4-[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2, 4-DIAMINE | NOVARTIS AG (CH) | 2016-06-23 | — | — | WO | disclosed |
| US-20160175305-A1 | CRYSTALLINE FORMS OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4-[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2, 4-DIAMINE | NOVARTIS AG (CH) | 2016-06-23 | — | — | US | disclosed |
| WO-2016081538-A1 | SOLID STATE FORMS OF CERITINIB AND SALTS THEREOF | TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) | 2016-05-26 | — | — | WO | disclosed |
| US-9309229-B2 | Crystalline forms of 5-chloro-N2-(2-isopropoxy-5-methyl-4-piperidin-4-yl-phenyl)-N4-[2-(propane-2-sulfonyl)-phenyl]-pyrimidine-2, 4-diamine | NOVARTIS AG (CH) | 2016-04-12 | — | — | US | disclosed |
| EP-2651918-A1 | CRYSTALLINE FORMS OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2,4-DIAMINE | Novartis AG (CH) | 2013-10-23 | — | — | EP | disclosed |
| US-20130274279-A1 | CRYSTALLINE FORMS OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4-[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2, 4-DIAMINE | NOVARTIS AG (CH) | 2013-10-17 | — | — | US | disclosed |
| WO-2012082972-A1 | CRYSTALLINE FORMS OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2,4-DIAMINE | NOVARTIS AG (CH) | 2012-06-21 | — | — | 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-20200039935-A1 | Chemical Process for Preparing Pyrimidine Derivatives and Intermediates Thereof | PDXK, DCK, DPYD | ALK 4/4885NPM1 1899/4885EML4 1277/4885 |
| US-20160175305-A1 | CRYSTALLINE FORMS OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4-[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2, 4-DIAMINE | PKD2, NT5C, PKD1 | ALK 517/4885NPM1 203/4885EML4 648/4885 |
| US-20130274279-A1 | CRYSTALLINE FORMS OF 5-CHLORO-N2-(2-ISOPROPOXY-5-METHYL-4-PIPERIDIN-4-YL-PHENYL)-N4-[2-(PROPANE-2-SULFONYL)-PHENYL]-PYRIMIDINE-2, 4-DIAMINE | PKD2, NT5C, PKD1 | ALK 500/4885NPM1 206/4885EML4 626/4885 |
“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.