Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.54 |
| ▸ | RAB9A | P51151 | 11/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 4/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SCD | O00767 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TEC | P42680 | 1/20 | 0.46 |
| ▸ | TXK | P42681 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4996277 | 0.85 | AKT3 (0.56) | NPC1RAB9ASMN1; SMN2KDM4EPKM | |
| SCHEMBL5000177 | 0.83 | TSHR (0.57) | RAB9ASMN1; SMN2KDM4EKMT2ALMNA | |
| SCHEMBL4929466 | 0.79 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL4995656 | 0.79 | RAB9A (0.60) | NPC1RAB9ASMN1; SMN2KDM4EPKM | |
| SCHEMBL5000331 | 0.76 | ITK (0.57) | NPC1RAB9ASMN1; SMN2KDM4ETP53 | |
| SCHEMBL5006350 | 0.74 | AKT3 (0.51) | NPC1RAB9ASMN1; SMN2KDM4EPKM | |
| SCHEMBL5000309 | 0.72 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL13992929 | 0.72 | AKT3 (0.52) | NPC1RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL5003289 | 0.72 | AKT3 (0.57) | — | |
| SCHEMBL4919817 | 0.72 | AKT3 (0.57) | ADORA2ACYP3A4LMNA |
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-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 |
| 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 | NPC1 1695/4885RAB9A 712/4885SMN1; SMN2 4557/4885 |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | CYP3A5, ABCG2, ABCB1 | NPC1 75/4885RAB9A 1057/4885SMN1; SMN2 2382/4885 |
“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.