Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.30 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21672437 | 0.84 | BRD4 (0.38) | CYP3A4KCNH2SCN10ABRD4APP | |
| SCHEMBL21672428 | 0.81 | AHR (0.35) | CYP3A4KCNH2SCN10ABRD4APP | |
| SCHEMBL22792806 | 0.78 | APP (0.32) | CYP3A4SCN10AAPPMEN1POLB | |
| SCHEMBL13604904 | 0.73 | CDK8 (0.39) | BRD4 | |
| SCHEMBL8957480 | 0.71 | GPR84 (0.48) | CYP3A4CYP1A2MAPTCYP2C19RAB9A | |
| SCHEMBL14104385 | 0.69 | MAPK1 (0.41) | MAPK1 | |
| SCHEMBL18118981 | 0.69 | ALDH1A1 (0.39) | CYP1A2MAPTCYP2C19POLB | |
| SCHEMBL15102107 | 0.68 | CCR4 (0.36) | CYP3A4BRD4CYP1A2MAPTCYP2C19 | |
| SCHEMBL12132906 | 0.68 | ALDH1A1 (0.48) | CYP1A2MAPTRAB9APOLBKMT2A | |
| SCHEMBL13604906 | 0.68 | ALDH1A1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200392128-A1 | NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2020-12-17 | — | — | US | disclosed |
| US-7638530-B2 | 1-{1-[4-(3-amino-5-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; anticarcinogenic agents | MERCK & CO., INC. (US) | 2009-12-29 | — | — | US | disclosed |
| US-7638530-B2 | 1-{1-[4-(3-amino-5-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; anticarcinogenic agents | MERCK & CO., INC. (US) | 2009-12-29 | — | — | 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 (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-20200392128-A1 | NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS | PTPN5, PTPN1, PTPRJ | CYP3A4 4643/4885KCNH2 4068/4885SCN10A 1766/4885 |
“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.