Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | TACR1 | P25103 | 5/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL3369328 | 0.81 | MAOA (0.52) | MAOAMAOBTSHRTACR1IDO1 | |
| SCHEMBL14417810 | 0.79 | TACR1 (0.53) | TSHRTACR1POLB | |
| SCHEMBL18940105 | 0.76 | TSHR (0.54) | TSHRTACR1IDO1AGXTKDM4E | |
| SCHEMBL20049050 | 0.76 | TSHR (0.54) | TSHRTACR1IDO1AGXTKDM4E | |
| SCHEMBL17100019 | 0.74 | TSHR (0.52) | TSHRTACR1IDO1 | |
| SCHEMBL6555217 | 0.74 | TSHR (0.52) | TSHRTACR1IDO1AGXTKDM4E | |
| SCHEMBL5722244 | 0.74 | TSHR (0.47) | TSHRTACR1IDO1AGXT | |
| SCHEMBL3488328 | 0.73 | TSHR (0.50) | TSHRTACR1KDM4EPOLBCA1 | |
| SCHEMBL8703206 | 0.73 | TSHR (0.50) | TSHRTACR1KDM4EPOLBCA1 | |
| SCHEMBL2454671 | 0.73 | TSHR (0.50) | TSHRTACR1KDM4EPOLBCA1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240279221-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHROEDINGER INC (US) | 2024-08-22 | — | — | US | disclosed |
| EP-4346815-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Schrödinger, Inc. (US) | 2024-04-10 | — | — | EP | disclosed |
| CN-117715642-A | Heterocyclic compounds and methods of use | 薛定谔公司 | 2024-03-15 | — | — | CN | disclosed |
| WO-2022251497-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. (US) | 2022-12-01 | — | — | WO | disclosed |
| US-20090054397-A1 | PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND | OHI NORIHITO | 2009-02-26 | — | — | US | disclosed |
| US-7429609-B2 | Pyrazole compound and medicinal composition containing the same | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2008-09-30 | — | — | US | disclosed |
| US-20050261339-A1 | Pyrazole compound and medicinal composition containing the same | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2005-11-24 | — | — | US | disclosed |
| US-20050208582-A1 | Pyrazole compounds and pharmaceutical compositions comprising the compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2005-09-22 | — | — | US | disclosed |
| CN-1656079-A | Pyrazole compounds and pharmaceutical compositions containing the same | EISAI CO LTD (JP) | 2005-08-17 | — | — | CN | disclosed |
| EP-1510516-A1 | PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 2005-03-02 | — | — | EP | 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-20090054397-A1 | PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND | CNKSR1, NR3C2, CSNK2B | MAOA 2221/4885MAOB 1861/4885TSHR 814/4885 |
| US-20050261339-A1 | Pyrazole compound and medicinal composition containing the same | CNKSR1, NR3C2, CSNK2B | MAOA 2624/4885MAOB 2177/4885TSHR 992/4885 |
| US-20240279221-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | APC, RCC2, CDC37 | MAOA 2410/4885MAOB 2169/4885TSHR 4235/4885 |
“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.