Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 4/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.66 |
| ▸ | POLB | P06746 | 3/20 | 0.65 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.57 |
| ▸ | BRAF | P15056 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL16028820 | 0.90 | ATM (0.71) | TSHRALDH1A1MAPK1HPGDTP53 | |
| SCHEMBL27411452 | 0.85 | ALDH1A1 (0.67) | TSHRALDH1A1MAPK1HPGDTP53 | |
| SCHEMBL18834052 | 0.79 | ATM (0.72) | TSHRALDH1A1MAPK1HPGDTP53 | |
| SCHEMBL21389539 | 0.78 | ALDH1A1 (0.62) | TSHRALDH1A1MAPK1HPGDSMN1; SMN2 | |
| SCHEMBL6348692 | 0.77 | BRAF (0.72) | TSHRALDH1A1MAPK1POLBKDM4E | |
| SCHEMBL8290551 | 0.76 | TSHR (0.78) | TSHRALDH1A1MAPK1HPGDTP53 | |
| SCHEMBL20656000 | 0.76 | ALDH1A1 (0.56) | TSHRALDH1A1MAPK1HPGDTP53 | |
| SCHEMBL32677317 | 0.75 | ALDH1A1 (0.78) | TSHRALDH1A1MAPK1HPGDTP53 | |
| SCHEMBL16028621 | 0.75 | ATM (0.71) | TSHRALDH1A1MAPK1HPGDTP53 | |
| SCHEMBL19375412 | 0.75 | ATM (0.71) | TSHRALDH1A1MAPK1HPGDTP53 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9951041-B2 | Crystalline C21H22Cl2N4O2 malonate | BIOMED VALLEY DISCOVERIES, INC. (US) | 2018-04-24 | — | — | US | disclosed |
| US-20170320851-A1 | CRYSTALLINE FORMS OF C21H22Cl2N4O2 | BIOMED VALLEY DISCOVERIES, INC. | 2017-11-09 | — | — | US | disclosed |
| US-20170320850-A1 | CRYSTALLINE C21H22Cl2N4O2 MALONATE | ALBANY MOLECULAR RESEARCH, INC. | 2017-11-09 | — | — | US | disclosed |
| US-9676746-B2 | Crystalline forms of C21H22Cl2N4O2 | BIOMED VALLEY DISCOVERIES, INC. (US) | 2017-06-13 | — | — | US | disclosed |
| US-9670177-B2 | Crystalline C21H22Cl2N4O2 malonate | BIOMED VALLEY DISCOVERIES, INC. (US) | 2017-06-06 | — | — | US | disclosed |
| EP-2970303-B1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2017-05-10 | — | — | EP | disclosed |
| US-20170095575-A1 | COMBINATION THERAPIES USING AGENTS THAT TARGET TUMOR-ASSOCIATED STROMA OR TUMOR CELLS AND OTHER PATHWAYS | BIOMED VALLEY DISCOVERIES, INC. (US) | 2017-04-06 | — | — | US | disclosed |
| US-20160317517-A1 | CANCER TREATMENTS USING COMBINATIONS OF PI3K/AKT PATHWAY AND ERK INHIBITORS | BIOMED VALLEY DISCOVERIES, INC. | 2016-11-03 | — | — | US | disclosed |
| US-20160310476-A1 | CANCER TREATMENT USING COMBINATIONS OF ERK AND RAF INHIBITORS | BIOMED VALLEY DISCOVERIES, INC. | 2016-10-27 | — | — | US | disclosed |
| US-20160221987-A1 | CRYSTALLINE FORMS OF C21H22Cl2N4O2 | BIOMED VALLEY DISCOVERIES, INC. | 2016-08-04 | — | — | US | disclosed |
| US-20160221988-A1 | CRYSTALLINE C21H22Cl2N4O2 MALONATE | BIOMED VALLEY DISCOVERIES, INC. | 2016-08-04 | — | — | US | disclosed |
| US-20160045556-A1 | C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN NON-HUMAN ANIMALS | BIOMED VALLEY DISCOVERIES, INC. (US) | 2016-02-18 | — | — | US | 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-20160045556-A1 | C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN NON-HUMAN ANIMALS | MKI67, HCCS, NCF1 | TSHR 3101/4885ALDH1A1 1340/4885MAPK1 4542/4885 |
| US-20160310476-A1 | CANCER TREATMENT USING COMBINATIONS OF ERK AND RAF INHIBITORS | BRAF, RAF1, MAPK3 | TSHR 2257/4885ALDH1A1 1335/4885MAPK1 6/4885 |
| US-20160221988-A1 | CRYSTALLINE C21H22Cl2N4O2 MALONATE | MAL2, ME1, SLC22A11 | TSHR 4528/4885ALDH1A1 881/4885MAPK1 489/4885 |
| US-20170095575-A1 | COMBINATION THERAPIES USING AGENTS THAT TARGET TUMOR-ASSOCIATED STROMA OR TUMOR CELLS AND OTHER PATHWAYS | IGLV6-57, IGSF11, TNFRSF9 | TSHR 3454/4885ALDH1A1 2310/4885MAPK1 2274/4885 |
| US-20160317517-A1 | CANCER TREATMENTS USING COMBINATIONS OF PI3K/AKT PATHWAY AND ERK INHIBITORS | KRAS, BRAF, NRAS | TSHR 4037/4885ALDH1A1 3689/4885MAPK1 35/4885 |
| US-20160221987-A1 | CRYSTALLINE FORMS OF C21H22Cl2N4O2 | CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 | TSHR 3362/4885ALDH1A1 781/4885MAPK1 3078/4885 |
| US-20170320851-A1 | CRYSTALLINE FORMS OF C21H22Cl2N4O2 | CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 | TSHR 3362/4885ALDH1A1 781/4885MAPK1 3078/4885 |
| US-20170320850-A1 | CRYSTALLINE C21H22Cl2N4O2 MALONATE | MAL2, ME1, SLC22A11 | TSHR 4528/4885ALDH1A1 881/4885MAPK1 489/4885 |
“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.