Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT3 | Q9Y243 | 9/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5006279 | 0.89 | AKT3 (0.53) | AKT3PRKACA | |
| SCHEMBL4996835 | 0.88 | AKT3 (0.41) | AKT3MAPTPOLBCDK2ROCK1 | |
| SCHEMBL5000292 | 0.87 | AKT3 (0.51) | AKT3MAPTPOLBNPC1RAB9A | |
| SCHEMBL5000361 | 0.87 | AKT3 (0.47) | AKT3MAPTPOLBROCK1NPC1 | |
| SCHEMBL5000291 | 0.82 | MAPT (0.51) | AKT3MAPTPOLBROCK1NPC1 | |
| SCHEMBL5006516 | 0.81 | AKT3 (0.48) | AKT3MAPTPOLBNPC1RAB9A | |
| SCHEMBL4996202 | 0.80 | AKT3 (0.51) | AKT3MAPTPOLBNPC1RAB9A | |
| SCHEMBL5000260 | 0.80 | AKT3 (0.51) | AKT3MAPTPOLBNPC1RAB9A | |
| SCHEMBL4996946 | 0.79 | RAB9A (0.57) | AKT3MAPTPOLBNPC1RAB9A | |
| SCHEMBL5000486 | 0.79 | AKT3 (0.46) | AKT3MAPTPOLBNPC1RAB9A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | claimed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | claimed |
| CN-1989131-A | Substituted thiophene derivatives as anti-cancer agents | CHIRON CORP (US) | 2007-06-27 | — | — | CN | claimed |
| EP-1732919-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2006-12-20 | — | — | EP | claimed |
| US-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | CHIRON CORPORATION (US) | 2005-11-17 | — | — | US | claimed |
| WO-2005095386-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2005-10-13 | — | — | WO | claimed |
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | disclosed |
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | disclosed |
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | disclosed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| US-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | CHIRON CORPORATION (US) | 2005-11-17 | — | — | 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 (2 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-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | MALT1, AKT1, PIK3CA | AKT3 7/4885MAPT 4443/4885POLB 2975/4885 |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | CYP3A5, ABCG2, ABCB1 | AKT3 2491/4885MAPT 3703/4885POLB 4112/4885 |
“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.