Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.67 |
| ▸ | KIT | P10721 | 5/20 | 0.57 |
| ▸ | SRC | P12931 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | ABL1 | P00519 | 2/20 | 0.54 |
| ▸ | BRAF | P15056 | 5/20 | 0.53 |
| ▸ | EGFR | P00533 | 4/20 | 0.53 |
| ▸ | CDK8 | P49336 | 2/20 | 0.49 |
| ▸ | CCNC | P24863 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL25789531 | 0.89 | NR1H2 (0.64) | NR1H2KITSRCKDM4EALDH1A1 | |
| SCHEMBL24283351 | 0.85 | NR1H2 (0.62) | NR1H2KITSRCKDM4EALDH1A1 | |
| SCHEMBL22065344 | 0.84 | NR1H2 (0.61) | NR1H2KITSRCKDM4EALDH1A1 | |
| SCHEMBL31053459 | 0.83 | KIT (0.66) | NR1H2KITSRCABL1BRAF | |
| SCHEMBL20912769 | 0.83 | KIT (0.71) | NR1H2KITSRCABL1BRAF | |
| SCHEMBL30904911 | 0.83 | KIT (0.71) | NR1H2KITSRCABL1BRAF | |
| SCHEMBL14704590 | 0.83 | KIT (0.66) | NR1H2KITSRCABL1BRAF | |
| SCHEMBL4933270 | 0.82 | KIT (0.65) | NR1H2KITSRCABL1BRAF | |
| SCHEMBL29614753 | 0.82 | KIT (0.65) | NR1H2KITSRCABL1BRAF | |
| SCHEMBL20227773 | 0.82 | KIT (0.65) | NR1H2KITSRCABL1BRAF |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023205344-A1 | SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2023-10-26 | — | — | WO | disclosed |
| EP-4011882-A1 | 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES | Purdue Research Foundation (US) | 2022-06-15 | — | — | EP | disclosed |
| US-11001559-B2 | 4-substituted aminoisoquinoline derivatives | PURDUE RESEARCH FOUNDATION (US) | 2021-05-11 | — | — | US | disclosed |
| EP-3663293-A1 | SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | Xiamen University (CN) | 2020-06-10 | — | — | EP | disclosed |
| WO-2020098710-A1 | SUBSTITUTED BIS-ARYL AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREFOR | 中国医学科学院医药生物技术研究所 | 2020-05-22 | — | — | WO | disclosed |
| EP-3647313-A1 | SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Xiamen University (CN) | 2020-05-06 | — | — | EP | disclosed |
| WO-2019196111-A1 | ANTI-TUMOR MULTIDRUG RESISTANCE OF HETEROARYL AMIDE COMPOUND, USE IN TREATMENT OF CANCERS AND PROTEIN-DRUG MOLECULAR COMPLEX | 上海交通大学医学院附属瑞金医院 | 2019-10-17 | — | — | WO | disclosed |
| US-20190177278-A1 | 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES | PURDUE RESEARCH FOUNDATION (US) | 2019-06-13 | — | — | US | disclosed |
| WO-2018027082-A1 | USE OF CDK8 INHIBITORS TO TREAT DISEASES OF INFLAMMATION AND AUTOIMMUNITY | THE BROAD INSTITUTE, INC. (US) | 2018-02-08 | — | — | WO | 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-20190177278-A1 | 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES | MCL1, ABL1, FLT3 | NR1H2 3084/4885KIT 2967/4885SRC 237/4885 |
| US-11001559-B2 | 4-substituted aminoisoquinoline derivatives | MCL1, ABL1, FLT3 | NR1H2 3084/4885KIT 2967/4885SRC 237/4885 |
“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.