Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.56 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.56 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.56 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.50 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.50 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.50 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 3/20 | 0.49 |
| ▸ | GRIA1 | P42261 | 7/20 | 0.46 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16090375 | 0.87 | CYP1A2 (0.53) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL16090273 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL16137704 | 0.82 | CYP1A2 (0.56) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL16137655 | 0.81 | PDE3B (0.57) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL16137427 | 0.81 | PDE3B (0.51) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL16137656 | 0.80 | PGR (0.52) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL16137654 | 0.79 | PDE3B (0.51) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL16137726 | 0.76 | PDE3B (0.47) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL17480250 | 0.75 | PDE3B (0.46) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL23143482 | 0.72 | PDE3B (1.00) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190241569-A1 | 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER | BOSTON BIOMEDICAL INC (US) | 2019-08-08 | — | — | US | disclosed |
| US-20160031888-A1 | 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER | BOSTON BIOMEDICAL, INC. (US) | 2016-02-04 | — | — | US | disclosed |
| US-20160031888-A1 | 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER | BOSTON BIOMEDICAL, INC. (US) | 2016-02-04 | — | — | US | disclosed |
| WO-2014160401-A1 | 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER | BOSTON BIOMEDICAL, INC. (US) | 2014-10-02 | — | — | 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 (2 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-20190241569-A1 | 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER | MAP3K2, MAP3K1, MAP3K3 | CYP1A2 3650/4885CYP11B1 2681/4885CYP11B2 2874/4885 |
| US-20160031888-A1 | 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER | MAP3K19, MAP3K2, MAP3K3 | CYP1A2 1064/4885CYP11B1 1557/4885CYP11B2 1543/4885 |
“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.