Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 7/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SLC10A6 | Q3KNW5 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28866506 | 0.83 | COMT (0.46) | COMTSMN1; SMN2ALDH1A1MAPTHTT | |
| SCHEMBL23485294 | 0.82 | SMN1; SMN2 (0.46) | COMTSMN1; SMN2ALDH1A1MAPTHTT | |
| SCHEMBL23485282 | 0.79 | GPR35 (0.36) | COMTALDH1A1 | |
| SCHEMBL6303498 | 0.77 | KDM4E (0.38) | COMTSMN1; SMN2KDM4EPOLB | |
| SCHEMBL23485684 | 0.75 | COMT (0.40) | COMTSMN1; SMN2ALDH1A1MAPTHTT | |
| SCHEMBL9442593 | 0.74 | KDM4E (0.45) | COMTSMN1; SMN2ALDH1A1MAPTHTT | |
| SCHEMBL13545969 | 0.73 | ALDH1A1 (0.49) | COMTSMN1; SMN2ALDH1A1MAPTHTT | |
| SCHEMBL24210733 | 0.73 | MAPT (0.43) | SMN1; SMN2MAPTKDM4EPOLB | |
| SCHEMBL1846609 | 0.72 | COMT (0.51) | COMTSMN1; SMN2ALDH1A1MAPTHTT | |
| SCHEMBL28290128 | 0.72 | ALDH1A1 (0.48) | COMTALDH1A1MAPTKDM4ESLC10A6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230365584-A1 | HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER | SCHRÖDINGER, INC. | 2023-11-16 | — | — | US | disclosed |
| CN-116490507-A | Heterocyclic condensation CDC7 kinase inhibitors for the treatment of cancer | 薛定谔公司 | 2023-07-25 | — | — | CN | disclosed |
| EP-4211140-A1 | HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER | Schrödinger, Inc. (US) | 2023-07-19 | — | — | EP | disclosed |
| US-20230101747-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. | 2023-03-30 | — | — | US | disclosed |
| EP-4069369-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | Schrödinger, Inc. (US) | 2022-10-12 | — | — | EP | disclosed |
| WO-2022055963-A1 | HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER | SCHRÖDINGER, INC. (US) | 2022-03-17 | — | — | WO | disclosed |
| WO-2021113492-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2021-06-10 | — | — | WO | disclosed |
| WO-2021113492-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2021-06-10 | — | — | 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-20230365584-A1 | HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER | CDC7, BUB1B, CDK7 | COMT 4119/4885SMN1; SMN2 3929/4885ALDH1A1 3059/4885 |
| US-20230101747-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | PLK1, DCK, CSNK1A1 | COMT 4205/4885SMN1; SMN2 4423/4885ALDH1A1 2801/4885 |
“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.