Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | SCN1A | P35498 | 3/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.49 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Procaine SCHEMBL1512999 | 0.87 | TSHR (0.70) | SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA | |
| SCHEMBL6677 | 0.86 | HRH3 (0.67) | SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA | |
| Hydrochloric Acid SCHEMBL24097 | 0.85 | BLM (0.68) | SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA | |
| Water SCHEMBL8171709 | 0.85 | HRH3 (0.65) | SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA | |
| SCHEMBL6616028 | 0.83 | TSHR (0.52) | SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA | |
| Procaine SCHEMBL21465373 | 0.82 | CYP2D6 (0.74) | SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA | |
| SCHEMBL6187667 | 0.81 | TSHR (0.53) | SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA | |
| Choline SCHEMBL3808986 | 0.77 | HRH3 (0.55) | SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA | |
| SCHEMBL453815 | 0.77 | TSHR (0.71) | SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA | |
| Hydrochloric Acid SCHEMBL30061329 | 0.75 | BLM (0.72) | SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1446387-B1 | SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES | PHARMACIA & UPJOHN CO LLC (US) | 2009-11-04 | — | — | EP | disclosed |
| US-20070054913-A1 | 4-(2-Butylamino)-2,7-dimethyl-8-(2-methyl-6-methoxypyrid-3-yl)pyrazolo-[1,5-a]-1,3,5-triazine, its enantiomers and pharmaceutically acceptable salts as corticotropin releasing factor receptor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2007-03-08 | — | — | US | disclosed |
| US-7015229-B2 | Substituted pyrimidinones and pyrimidinthiones | PFIZER INC (US) | 2006-03-21 | — | — | US | disclosed |
| US-20030195222-A1 | Substituted pyrimidinones and pyrimidinthiones | PHARMACIA & UPJOHN COMPANY | 2003-10-16 | — | — | US | disclosed |
| US-20030144297-A1 | Substituted aryl 1,4-pyrazine derivatives | PHARMACIA & UPJOHN COMPANY | 2003-07-31 | — | — | 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 (3 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-20070054913-A1 | 4-(2-Butylamino)-2,7-dimethyl-8-(2-methyl-6-methoxypyrid-3-yl)pyrazolo-[1,5-a]-1,3,5-triazine, its enantiomers and pharmaceutically acceptable salts as corticotropin releasing factor receptor ligands | CRHR2, CRH, CRHR1 | SMN1; SMN2 2405/4885ALDH1A1 1804/4885TSHR 133/4885 |
| US-20030195222-A1 | Substituted pyrimidinones and pyrimidinthiones | CRHR1, CRH, CRHR2 | SMN1; SMN2 2053/4885ALDH1A1 699/4885TSHR 337/4885 |
| US-20030144297-A1 | Substituted aryl 1,4-pyrazine derivatives | HTR2C, HTR4, HTR5A | SMN1; SMN2 4251/4885ALDH1A1 265/4885TSHR 623/4885 |
“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.