Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADK | P55263 | 2/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.36 |
| ▸ | MTOR | P42345 | 12/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 11/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1348816 | 0.92 | ADK (0.44) | ADKCSNK2A1MTORPIK3CA | |
| SCHEMBL1348911 | 0.89 | ADK (0.44) | ADKCSNK2A1MTORPIK3CAKDM4E | |
| SCHEMBL1347650 | 0.85 | ADK (0.47) | ADKCSNK2A1MTORPIK3CAKDM4E | |
| SCHEMBL1348510 | 0.81 | ALDH1A1 (0.50) | ADKCSNK2A1KDM4EALDH1A1POLB | |
| SCHEMBL1348368 | 0.81 | ADK (0.44) | ADKCSNK2A1MTORPIK3CAKDM4E | |
| SCHEMBL14850587 | 0.80 | CSNK2A1 (0.40) | ADKCSNK2A1MTORPIK3CA | |
| SCHEMBL1348152 | 0.75 | CSNK2A1 (0.40) | ADKCSNK2A1KDM4EALDH1A1LMNA | |
| SCHEMBL1348581 | 0.74 | NPC1 (0.38) | KDM4EALDH1A1LMNAPOLBMEN1 | |
| SCHEMBL1349685 | 0.73 | LCK (0.40) | CSNK2A1MTORPIK3CAKDM4EALDH1A1 | |
| SCHEMBL14827414 | 0.73 | KDM4E (0.53) | CSNK2A1MTORPIK3CAKDM4EALDH1A1 |
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 | ADK 143/4885CSNK2A1 1418/4885MTOR 2167/4885 |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | ADK 143/4885CSNK2A1 1418/4885MTOR 2167/4885 |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, TPMT, ACAT1 | ADK 143/4885CSNK2A1 1418/4885MTOR 2167/4885 |
| US-20070167460-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, ADORA2B, TPMT | ADK 101/4885CSNK2A1 1034/4885MTOR 1896/4885 |
“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.