Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 7/20 | 0.39 |
| ▸ | MET | P08581 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | FEN1 | P39748 | 4/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1347108 | 0.86 | SCN5A (0.40) | SCN5AKIF11SCN9AKDM4EALDH1A1 | |
| SCHEMBL1346318 | 0.85 | SCN5A (0.40) | SCN5AKIF11SCN9AKDM4EALDH1A1 | |
| SCHEMBL1347429 | 0.82 | KIF11 (0.43) | SCN5AKIF11FEN1ALOX5APKDM4E | |
| SCHEMBL1348403 | 0.81 | SIGMAR1 (0.39) | SCN5AKIF11MAP4K1 | |
| SCHEMBL1347462 | 0.77 | SCN5A (0.55) | SCN5AKIF11 | |
| SCHEMBL1350322 | 0.74 | ALOX5AP (0.41) | FEN1ALOX5AP | |
| SCHEMBL1349109 | 0.72 | MTOR (0.37) | FEN1ALOX5AP | |
| SCHEMBL1346286 | 0.71 | MCHR1 (0.44) | SCN5AKIF11METSMN1; SMN2LMNA | |
| SCHEMBL29892918 | 0.71 | KIF11 (0.38) | SCN5AKIF11SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL24068093 | 0.69 | SMN1; SMN2 (0.45) | SMN1; SMN2KDM4EALDH1A1LMNACYP1A2 |
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-8063048-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100210642-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | GATTI MCARTHUR SILVIA | 2010-08-19 | — | — | US | disclosed |
| US-7718661-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-05-18 | — | — | US | disclosed |
| EP-1863818-B1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-03-10 | — | — | EP | disclosed |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | GATTI MCARTHUR SILVIA | 2008-12-04 | — | — | US | disclosed |
| US-7446113-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2008-11-04 | — | — | US | disclosed |
| EP-1863818-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| US-20070167460-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | MCARTHUR SILVIA G | 2007-07-19 | — | — | US | disclosed |
| US-7238808-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-07-03 | — | — | US | disclosed |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2006-09-28 | — | — | US | disclosed |
| WO-2006099972-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-28 | — | — | 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 (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-20100210642-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | SCN5A 1515/4885KIF11 1003/4885MET 4403/4885 |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | SCN5A 1515/4885KIF11 1003/4885MET 4403/4885 |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, TPMT, ACAT1 | SCN5A 1515/4885KIF11 1003/4885MET 4403/4885 |
| US-20070167460-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, ADORA2B, TPMT | SCN5A 735/4885KIF11 1180/4885MET 4321/4885 |
“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.