Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 8/20 | 0.78 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.78 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.70 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.70 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.70 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.70 |
| ▸ | CCR2 | P41597 | 1/20 | 0.70 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.70 |
| ▸ | BLM | P54132 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | MC4R | P32245 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL15046526 | 0.98 | CXCR4 (0.75) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL10316935 | 0.96 | SIGMAR1 (0.85) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL255099 | 0.96 | SIGMAR1 (0.85) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL3999326 | 0.96 | CXCR4 (0.79) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL9168824 | 0.94 | CXCR4 (0.76) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| Hydrochloric Acid SCHEMBL7422770 | 0.94 | SIGMAR1 (0.82) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL31616422 | 0.94 | SIGMAR1 (0.82) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL3994310 | 0.93 | CXCR4 (0.83) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| Pyrrolidine SCHEMBL15516038 | 0.92 | SIGMAR1 (0.72) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL30641657 | 0.91 | CXCR4 (0.81) | CXCR4SIGMAR1MEN1KMT2AHRH3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796297-B2 | 4-substituted-2-amino-pyrimidine derivatives | ABBVIE INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796297-B2 | 4-substituted-2-amino-pyrimidine derivatives | ABBVIE INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796297-B2 | 4-substituted-2-amino-pyrimidine derivatives | ABBVIE INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8735411-B2 | Macrocyclic benzofused pyrimidine derivatives | ABBVIE INC. (US) | 2014-05-27 | — | — | US | disclosed |
| US-20100331294-A1 | 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-12-30 | — | — | US | disclosed |
| US-20100331294-A1 | 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-12-30 | — | — | US | disclosed |
| US-20100331294-A1 | 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-12-30 | — | — | US | disclosed |
| US-20080188452-A1 | Macrocyclic Benzofused Pyrimidine Derivatives | ABBVIE INC. | 2008-08-07 | — | — | US | disclosed |
| WO-2008060767-A2 | MACROCYCLIC BENZOFUSED PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2008-05-22 | — | — | WO | disclosed |
| EP-1406900-A1 | NOVEL COMPOUNDS, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003004493-A1 | NOVEL COMPOUNDS, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2003-01-16 | — | — | 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-20080188452-A1 | Macrocyclic Benzofused Pyrimidine Derivatives | DPYD, TYMS, UMPS | CXCR4 1799/4885SIGMAR1 4863/4885MEN1 2195/4885 |
| US-20100331294-A1 | 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES | HRH2, HRH4, HRH3 | CXCR4 513/4885SIGMAR1 227/4885MEN1 3785/4885 |
“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.