Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.63 |
| ▸ | AKT2 | P31751 | 1/20 | 0.63 |
| ▸ | CYP2A6 | P11509 | 8/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | PIM1 | P11309 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | METAP2 | P50579 | 1/20 | 0.53 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | TTK | P33981 | 1/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.49 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30268352 | 1.00 | AKT1 (0.63) | AKT1AKT2CYP2A6CYP3A4ALDH1A1 | |
| Butylamine SCHEMBL27666227 | 0.83 | CYP3A4 (0.51) | AKT1AKT2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL29636234 | 0.80 | — | — | |
| SCHEMBL22636821 | 0.79 | MAPK1 (0.51) | AKT1AKT2PIM1MAPK1AURKA | |
| SCHEMBL120088 | 0.79 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2B6 | |
| SCHEMBL30473120 | 0.79 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2B6 | |
| SCHEMBL29419014 | 0.79 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2B6 | |
| SCHEMBL82741 | 0.78 | AKT2 (1.00) | AKT1AKT2PIM1METAP2 | |
| Benzene SCHEMBL28198087 | 0.78 | AKT2 (1.00) | AKT1AKT2PIM1METAP2 | |
| SCHEMBL2460206 | 0.77 | CHRNB2 (0.71) | ALDH1A1KDM4ETP53MAPTHPGD |
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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3294729-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES | SELVITA S.A. (PL) | 2018-03-21 | — | — | EP | claimed |
| WO-2016180536-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES | SELVITA S.A. (PL) | 2016-11-17 | — | — | WO | claimed |
| EP-3769763-B1 | 3-(1H-PYRAZOL-4-YL) PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME LLC (US) | 2025-01-22 | — | — | EP | disclosed |
| EP-3873467-B1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME LLC (US) | 2024-08-28 | — | — | EP | disclosed |
| CN-114984003-B | Aromatic sulfonamide derivatives | 拜耳制药股份公司 | 2024-08-27 | — | — | CN | disclosed |
| CN-115054600-B | Aromatic sulfonamide derivatives | 拜耳制药股份公司 | 2024-06-14 | — | — | CN | disclosed |
| US-11970479-B2 | 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor | MERCK SHARP & DOHME LLC (US) | 2024-04-30 | — | — | US | disclosed |
| US-20240066033-A1 | Compositions and Methods for the Treatment and Diagnosis of Cancer | BIOVENTURES, LLC | 2024-02-29 | — | — | US | disclosed |
| US-20240066033-A1 | Compositions and Methods for the Treatment and Diagnosis of Cancer | BIOVENTURES, LLC | 2024-02-29 | — | — | US | disclosed |
| EP-3644991-B1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME LLC (US) | 2023-08-02 | — | — | EP | disclosed |
| EP-3644992-B1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME LLC (US) | 2023-03-29 | — | — | EP | disclosed |
| WO-2012052412-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2012-04-26 | — | — | WO | disclosed |
| US-20120094837-A1 | Novel Heterocyclic Compounds as Pesticides | BAYER CROP SCIENCE AG (DE) | 2012-04-19 | — | — | US | disclosed |
| US-20120094837-A1 | Novel Heterocyclic Compounds as Pesticides | BAYER CROP SCIENCE AG (DE) | 2012-04-19 | — | — | US | disclosed |
| WO-2012007500-A2 | NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2012-01-19 | — | — | WO | disclosed |
| US-20110166143-A1 | Heterocyclic Compounds as Pesticides | BAYER CROPSCIENCE AG (DE) | 2011-07-07 | — | — | US | disclosed |
| WO-2011045224-A1 | 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE | BAYER CROPSCIENCE AG (DE) | 2011-04-21 | — | — | WO | disclosed |
| CN-1890242-A | Pyrazolo and imidazo-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2007-01-03 | — | — | CN | disclosed |
| CN-1075965-A | New Hete rocyclic derivatives | FUJISAWA PHARMACEUTICAL CO (JP) | 1993-09-08 | — | — | CN | disclosed |
| CN-1070404-A | New Hete rocyclic derivatives | FUJISAWA PHARMACEUTICAL CO (JP) | 1993-03-31 | — | — | CN | 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-11970479-B2 | 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor | CHRM4, CHRM3, CHRM1 | AKT1 4049/4885AKT2 4453/4885CYP2A6 1286/4885 |
| US-20120094837-A1 | Novel Heterocyclic Compounds as Pesticides | DDT, PTMS, ACHE | AKT1 1830/4885AKT2 2680/4885CYP2A6 677/4885 |
| US-20240066033-A1 | Compositions and Methods for the Treatment and Diagnosis of Cancer | NSUN2, RNMT, TRDMT1 | AKT1 2444/4885AKT2 2351/4885CYP2A6 4216/4885 |
| US-20110166143-A1 | Heterocyclic Compounds as Pesticides | DDT, ACHE, BCHE | AKT1 2578/4885AKT2 3033/4885CYP2A6 256/4885 |
“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.