Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.39 |
| ▸ | SELE | P16581 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28147113 | 0.83 | MEN1 (0.39) | KMT2AMEN1HTTCA2MAPT | |
| SCHEMBL4703482 | 0.82 | DAO (0.55) | KMT2AMEN1HPGDCA1CA2 | |
| SCHEMBL18302448 | 0.82 | MAPT (0.52) | KMT2AMEN1HPGDIKBKEAURKB | |
| SCHEMBL25399448 | 0.80 | OPRD1 (0.45) | KMT2AMEN1HPGDCA1CA2 | |
| SCHEMBL3055932 | 0.80 | MEN1 (0.37) | KMT2AMEN1HPGDCA2MAPT | |
| Hydrochloric Acid SCHEMBL30515341 | 0.78 | MEN1 (0.37) | KMT2AMEN1CA2MAPTMAPK1 | |
| SCHEMBL28148274 | 0.77 | KMT2A (0.43) | KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL24579380 | 0.77 | ALDH1A1 (0.38) | KMT2AMEN1CA1CA2MAPT | |
| SCHEMBL6870004 | 0.76 | HSD17B1 (0.64) | HTTHPGDPARP1CDK2IKBKE | |
| SCHEMBL8632472 | 0.75 | MAPT (0.39) | KMT2AMEN1CA1CA2AURKB |
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 6 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 |
| US-20230365584-A1 | HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER | SCHRÖDINGER, INC. | 2023-11-16 | — | — | US | disclosed |
| 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 |
| WO-2022055963-A1 | HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER | SCHRÖDINGER, INC. (US) | 2022-03-17 | — | — | 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 (1 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 | KMT2A 1874/4885MEN1 1575/4885HTT 4640/4885 |
“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.