Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9903830 | 0.86 | ALDH1A1 (0.42) | ALDH1A1PBRM1HPGDTSHRFEN1 | |
| SCHEMBL15774546 | 0.85 | ALDH1A1 (0.41) | ALDH1A1PBRM1HPGDTSHRFEN1 | |
| SCHEMBL16649684 | 0.83 | PBRM1 (0.43) | ALDH1A1PBRM1HPGDTSHRFEN1 | |
| SCHEMBL15129326 | 0.79 | CDC7 (0.33) | ALDH1A1PBRM1TSHRHSD17B10KMT2A | |
| SCHEMBL5407394 | 0.79 | CES2 (0.44) | PBRM1MEN1LMNAKMT2APARP1 | |
| SCHEMBL12497720 | 0.79 | CDC7 (0.35) | PBRM1KMT2A | |
| SCHEMBL12497243 | 0.78 | PBRM1 (0.35) | PBRM1HPGDKMT2A | |
| SCHEMBL320037 | 0.77 | ALDH1A1 (0.61) | ALDH1A1PBRM1HPGDTSHRFEN1 | |
| SCHEMBL7689589 | 0.76 | ERN1 (0.38) | ALDH1A1TSHRHSD17B10MEN1CYP3A4 | |
| SCHEMBL5402188 | 0.76 | NFKB1 (0.41) | ALDH1A1HPGDTSHRLMNAGRIN2D |
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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116854662-A | C 21 H 22 Cl 2 N 4 O 2 Is of the crystal form (B) | 生物医学谷探索股份有限公司 | 2023-10-10 | — | — | CN | claimed |
| US-20230027072-A1 | IMPROVED METHODS, KITS, COMPOSITIONS AND DOSING REGIMENS FOR THE USE OF HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 | ASANA BIOSCIENCES, LLC | 2023-01-26 | — | — | US | claimed |
| US-11390600-B2 | Crystalline forms of C21H22Cl2N4O2 | BIOMED VALLEY DISCOVERIES, INC. (US) | 2022-07-19 | — | — | US | claimed |
| WO-2021086726-A1 | IMPROVED METHODS, KITS, COMPOSITIONS AND DOSING REGIMENS FOR THE USE OF HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 | Asan BioSciences, LLC (US) | 2021-05-06 | — | — | WO | claimed |
| US-20200339531-A1 | CRYSTALLINE FORMS OF C21H22Cl2N4O2 | VERTEX PHARMACEUTICALS INCORPORATED | 2020-10-29 | — | — | US | claimed |
| EP-3250291-B1 | CRYSTALLINE C21H22C12N4O2 MALONATE | BIOMED VALLEY DISCOVERIES INC (US) | 2020-08-26 | — | — | EP | claimed |
| US-20200179356-A1 | HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER | ASANA BIOSCIENCES, LLC | 2020-06-11 | — | — | US | claimed |
| US-10471051-B2 | Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer | ASANA BIOSCIENCES, LLC (US) | 2019-11-12 | — | — | US | claimed |
| US-20190127348-A1 | CRYSTALLINE FORMS OF C21H22Cl2N4O2 | BIOMED VALLEY DISCOVERIES, INC. | 2019-05-02 | — | — | US | claimed |
| EP-3307727-A1 | HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER | Asana BioSciences, LLC (US) | 2018-04-18 | — | — | EP | claimed |
| US-20160362406-A1 | HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER | ASANA BIOSCIENCES, LLC (US) | 2016-12-15 | — | — | US | claimed |
| US-20160221987-A1 | CRYSTALLINE FORMS OF C21H22Cl2N4O2 | BIOMED VALLEY DISCOVERIES, INC. | 2016-08-04 | — | — | US | claimed |
| US-20160221988-A1 | CRYSTALLINE C21H22Cl2N4O2 MALONATE | BIOMED VALLEY DISCOVERIES, INC. | 2016-08-04 | — | — | US | claimed |
| WO-2016123581-A1 | CRYSTALLINE C21H22C12N4O2 MALONATE | BIOMED VALLEY DISCOVERIES, INC. (US) | 2016-08-04 | — | — | WO | claimed |
| WO-2016123574-A1 | CRYSTALLINE FORMS OF C21H22CI2N4O2 | BIOMED VALLEY DISCOVERIES, INC. (US) | 2016-08-04 | — | — | WO | claimed |
| EP-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | claimed |
| US-6743791-B2 | ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS | VERTEX PHARMACEUTICALS INCORPORATED | 2004-06-01 | — | — | US | claimed |
| EP-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | claimed |
| US-20030092714-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-15 | — | — | US | claimed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | 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-20190127348-A1 | CRYSTALLINE FORMS OF C21H22Cl2N4O2 | CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 | ALDH1A1 781/4885PBRM1 2117/4885HPGD 539/4885 |
| US-20160221988-A1 | CRYSTALLINE C21H22Cl2N4O2 MALONATE | MAL2, ME1, SLC22A11 | ALDH1A1 881/4885PBRM1 3333/4885HPGD 1901/4885 |
| US-20160221987-A1 | CRYSTALLINE FORMS OF C21H22Cl2N4O2 | CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 | ALDH1A1 781/4885PBRM1 2117/4885HPGD 539/4885 |
| US-10471051-B2 | Heterocyclic inhibitors of ERK1 and ERK2 and their use in the treatment of cancer | KRAS, NRAS, RAF1 | ALDH1A1 714/4885PBRM1 622/4885HPGD 741/4885 |
| US-20200339531-A1 | CRYSTALLINE FORMS OF C21H22Cl2N4O2 | CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 | ALDH1A1 781/4885PBRM1 2117/4885HPGD 539/4885 |
| US-20030092714-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | MAPK1, MAPK3, MAP2K2 | ALDH1A1 2909/4885PBRM1 1828/4885HPGD 918/4885 |
| US-20160362406-A1 | HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER | KRAS, NRAS, RAF1 | ALDH1A1 714/4885PBRM1 622/4885HPGD 741/4885 |
| US-20200179356-A1 | HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER | KRAS, NRAS, RAF1 | ALDH1A1 714/4885PBRM1 622/4885HPGD 741/4885 |
| US-20230027072-A1 | IMPROVED METHODS, KITS, COMPOSITIONS AND DOSING REGIMENS FOR THE USE OF HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 | KRAS, NRAS, BRAF | ALDH1A1 1217/4885PBRM1 620/4885HPGD 646/4885 |
| US-11390600-B2 | Crystalline forms of C21H22Cl2N4O2 | CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 | ALDH1A1 781/4885PBRM1 2117/4885HPGD 539/4885 |
“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.