Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 16/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 16/20 | 0.53 |
| ▸ | PIK3CB | P42338 | 16/20 | 0.53 |
| ▸ | PIK3CG | P48736 | 16/20 | 0.53 |
| ▸ | PRKDC | P78527 | 16/20 | 0.53 |
| ▸ | ABL1 | P00519 | 3/20 | 0.50 |
| ▸ | SRC | P12931 | 3/20 | 0.50 |
| ▸ | MTOR | P42345 | 2/20 | 0.46 |
| ▸ | SGK1 | O00141 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.46 |
| ▸ | EIF4E | P06730 | 1/20 | 0.46 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.46 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | BRSK2 | Q8IWQ3 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | NUDT14 | O95848 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3420175 | 0.78 | PIK3CD (0.59) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL7062578 | 0.76 | MKNK1 (0.43) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL3422985 | 0.76 | ABL1 (0.58) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL6431494 | 0.76 | RPS6KB1 (0.46) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL14742662 | 0.76 | PIK3CD (0.58) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL868785 | 0.73 | RET (0.39) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL8323143 | 0.72 | PIK3CD (0.49) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL10824553 | 0.71 | PIK3CD (0.55) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL8466427 | 0.70 | PI4KB (0.50) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL887795 | 0.69 | PIK3CD (0.50) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7715989-B2 | Systems and methods for predicting oligonucleotide melting temperature (TmS) | ELITECH HOLDING B.V. (NL) | 2010-05-11 | — | — | US | claimed |
| CN-115124536-A | Synthesis method of ibrutinib intermediate | 浙江美诺华药物化学有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-110869369-B | Five-membered and six-membered nitrogen heteroaromatic ring compound, preparation method thereof, medicinal composition and application thereof | 厦门大学 | 2022-06-28 | — | — | CN | disclosed |
| CN-111018862-B | Preparation method of ibrutinib | 正大天晴药业集团股份有限公司 | 2021-12-24 | — | — | CN | disclosed |
| CN-106831788-B | Ibutotinib refining method | 鲁南制药集团股份有限公司 | 2020-10-30 | — | — | CN | disclosed |
| US-20200172521-A1 | Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof | Amcure Biosciences Pte. Ltd. (SG) | 2020-06-04 | — | — | US | disclosed |
| EP-3257855-B1 | METHOD FOR PREPARING IBRUTINIB | SHANGHAI DUDE MEDICAL SCIENCE AND TECH CO LTD (CN) | 2020-04-22 | — | — | EP | disclosed |
| CN-111018862-A | Preparation method of ibrutinib | 正大天晴药业集团股份有限公司 | 2020-04-17 | — | — | CN | disclosed |
| EP-3626718-A1 | FIVE- AND SIX-MEMBERED AZA-AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATION | Xiamen University (CN) | 2020-03-25 | — | — | EP | disclosed |
| US-20180044339-A1 | PROCESS FOR PREPARING IBRUTINIB | LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. (CN) | 2018-02-15 | — | — | US | disclosed |
| EP-3257855-A1 | METHOD FOR PREPARING IBRUTINIB | Shanghai Dude Medical Science and Technology Co., Ltd. (CN) | 2017-12-20 | — | — | EP | disclosed |
| US-9718828-B2 | BTK Inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-01 | — | — | US | disclosed |
| US-20170008899-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-01-12 | — | — | US | disclosed |
| US-20140221333-A1 | BTK INHIBITORS | MERCK SHARP & DOHME B.V. (NL) | 2014-08-07 | — | — | US | disclosed |
| EP-2548877-A1 | 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors | MSD Oss B.V. (NL) | 2013-01-23 | — | — | EP | disclosed |
| EP-0496617-B1 | Adenosine kinase inhibitors | METABASIS THERAPEUTICS INC (US) | 1999-12-01 | — | — | EP | disclosed |
| US-5646128-A | TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS | GENSIA, INC. (US) | 1997-07-08 | — | — | US | disclosed |
| EP-0496617-A1 | Adenosine kinase inhibitors | GENSIA, INC. (US) | 1992-07-29 | — | — | EP | 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-20170008899-A1 | BTK INHIBITORS | BTK, SYK, ABL1 | PIK3CD 33/4885PIK3CA 34/4885PIK3CB 32/4885 |
| US-20180044339-A1 | PROCESS FOR PREPARING IBRUTINIB | BTK, SYK, ABL1 | PIK3CD 53/4885PIK3CA 33/4885PIK3CB 22/4885 |
| US-20200172521-A1 | Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof | KRAS, NRAS, RASSF5 | PIK3CD 401/4885PIK3CA 478/4885PIK3CB 451/4885 |
| US-20140221333-A1 | BTK INHIBITORS | BTK, SYK, ABL1 | PIK3CD 34/4885PIK3CA 31/4885PIK3CB 28/4885 |
“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.