Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 1/20 | 0.65 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.65 |
| ▸ | ITGAV | P06756 | 1/20 | 0.65 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.50 |
| ▸ | HTR3B | O95264 | 2/20 | 0.50 |
| ▸ | HTR3A | P46098 | 2/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 7/20 | 0.43 |
| ▸ | NOS3 | P29474 | 5/20 | 0.43 |
| ▸ | NOS2 | P35228 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22495645 | 1.00 | S100B (0.65) | S100BITGB3ITGAVHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL3234638 | 0.98 | S100B (0.62) | S100BITGB3ITGAVHTR3EHTR3B | |
| SCHEMBL11884460 | 0.85 | S100B (0.72) | S100BITGB3ITGAVHTR3EHTR3B | |
| SCHEMBL24456383 | 0.83 | HTR3E (0.72) | S100BITGB3ITGAVHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL2861960 | 0.81 | HTR3E (0.69) | S100BITGB3ITGAVHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL3236821 | 0.79 | HTR3E (0.46) | S100BITGB3ITGAVHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL3241493 | 0.79 | S100B (0.42) | S100BITGB3ITGAVHTR3EHTR3B | |
| SCHEMBL22495606 | 0.77 | S100B (0.57) | S100BITGB3ITGAVHTR3EHTR3B | |
| SCHEMBL22495607 | 0.77 | S100B (0.57) | S100BITGB3ITGAVHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL3423194 | 0.74 | SIGMAR1 (0.47) | S100BITGB3ITGAVHTR3EHTR3B |
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-11702392-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2023-07-18 | — | — | US | disclosed |
| US-11702392-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2023-07-18 | — | — | US | disclosed |
| US-11702392-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2023-07-18 | — | — | US | disclosed |
| EP-3952998-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | Merck Patent GmbH (DE) | 2022-02-16 | — | — | EP | disclosed |
| US-20210179565-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | MERCK PATENT GMBH (DE) | 2021-06-17 | — | — | US | disclosed |
| US-20210179565-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | MERCK PATENT GMBH (DE) | 2021-06-17 | — | — | US | disclosed |
| US-11001561-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2021-05-11 | — | — | US | disclosed |
| US-11001561-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2021-05-11 | — | — | US | disclosed |
| WO-2020210384-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | MERCK PATENT GMBH (DE) | 2020-10-15 | — | — | WO | disclosed |
| WO-2020210384-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | MERCK PATENT GMBH (DE) | 2020-10-15 | — | — | WO | disclosed |
| US-20200317622-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | EMD SERONO RESEARCH AND DEVELOPMENT, INC. | 2020-10-08 | — | — | US | disclosed |
| US-20200317622-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | EMD SERONO RESEARCH AND DEVELOPMENT, INC. | 2020-10-08 | — | — | 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 (4 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-11001561-B2 | Pyrimidinone derivatives as SHP2 antagonists | PTPN5, PTPN1, PTPN2 | S100B 4675/4885ITGB3 4608/4885ITGAV 4794/4885 |
| US-11702392-B2 | Pyrimidinone derivatives as SHP2 antagonists | PTPN5, PTPN1, PTPN2 | S100B 4675/4885ITGB3 4608/4885ITGAV 4794/4885 |
| US-20210179565-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | PTPN5, PTPN1, PTPN2 | S100B 4675/4885ITGB3 4608/4885ITGAV 4794/4885 |
| US-20200317622-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | PTPN5, PTPN1, PTPN2 | S100B 4675/4885ITGB3 4608/4885ITGAV 4794/4885 |
“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.