Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.50 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.48 |
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.48 |
| ▸ | CD38 | P28907 | 15/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL526632 | 0.83 | KDM4E (0.44) | RPS6KB1AKT1AURKBINCENPCYP3A4 | |
| SCHEMBL527991 | 0.81 | CD38 (0.51) | PARP1CD38CYP3A4KCNH2 | |
| SCHEMBL28755091 | 0.67 | PARP1 (0.50) | PARP1CD38CYP3A4KCNH2 | |
| SCHEMBL859288 | 0.66 | ALDH1A1 (0.54) | — | |
| SCHEMBL28204617 | 0.66 | PARP1 (0.46) | PARP1CD38CYP3A4 | |
| SCHEMBL20680402 | 0.66 | CD38 (0.65) | CD38CYP3A4KCNH2 | |
| SCHEMBL27416308 | 0.66 | PARP1 (0.61) | PARP1CD38 | |
| SCHEMBL20680339 | 0.66 | CD38 (0.59) | PARP1CD38CYP3A4KCNH2 | |
| SCHEMBL20680200 | 0.65 | CD38 (1.00) | CD38CYP3A4KCNH2 | |
| SCHEMBL14554116 | 0.65 | CASP1 (0.42) | PARP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10087166-B2 | Cyclic amine azaheterocyclic carboxamides | MERCK PATENT GMBH (DE) | 2018-10-02 | — | — | US | disclosed |
| US-20170129877-A1 | Cyclic Amine Azaheterocyclic Carboxamides | MERCK PATENT GMBH (DE) | 2017-05-11 | — | — | US | disclosed |
| US-9586938-B2 | Cyclic amine azaheterocyclic carboxamides | MERCK PATENT GMBH (DE) | 2017-03-07 | — | — | US | disclosed |
| CN-103140484-B | Cyclic amine azaheterocyclic carboxamides | MERCK PATENT GMBH | 2015-04-22 | — | — | CN | disclosed |
| US-20130217709-A1 | Cyclic Amine Azaheterocyclic Carboxamides | MERCK PATENT GMBH (DE) | 2013-08-22 | — | — | US | disclosed |
| EP-2598497-A1 | CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES | Merck Patent GmbH (DE) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016001-A1 | CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES | MERCK PATENT GMBH (DE) | 2012-02-02 | — | — | 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 (3 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-20130217709-A1 | Cyclic Amine Azaheterocyclic Carboxamides | MKI67, AZI2, PCNA | PARP1 84/4885RPS6KB1 1117/4885AKT1 1178/4885 |
| US-20170129877-A1 | Cyclic Amine Azaheterocyclic Carboxamides | MKI67, AZI2, PCNA | PARP1 84/4885RPS6KB1 1117/4885AKT1 1178/4885 |
| US-10087166-B2 | Cyclic amine azaheterocyclic carboxamides | MKI67, AZI2, PCNA | PARP1 84/4885RPS6KB1 1117/4885AKT1 1178/4885 |
“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.