Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGMT | P16455 | 7/20 | 0.57 |
| ▸ | CDK1 | P06493 | 2/20 | 0.57 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.57 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.57 |
| ▸ | CDK2 | P24941 | 2/20 | 0.57 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.57 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.54 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.48 |
| ▸ | TPO | P07202 | 1/20 | 0.48 |
| ▸ | EPX | P11678 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6362719 | 0.86 | MGMT (0.63) | MGMTCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6441885 | 0.83 | MGMT (0.53) | MGMTCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6446566 | 0.82 | ADORA1 (0.63) | MGMTCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6443037 | 0.80 | SQOR (0.51) | MGMTCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6441882 | 0.80 | SQOR (0.51) | MGMTCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL26977830 | 0.78 | MGMT (0.57) | MGMTCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL6444489 | 0.77 | ADORA2A (0.40) | SQORMPOL3MBTL1ADORA2AADORA1 | |
| SCHEMBL4907138 | 0.77 | ADORA1 (0.58) | SQORCYP1A2CYP2C9CYP2C19ADORA2A | |
| SCHEMBL5046632 | 0.76 | ADORA2A (0.62) | MGMTCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL4064974 | 0.75 | ADORA1 (0.45) | MPOCYP1A2CYP2C9TSHRCYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261327-B1 | ADENOSINE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2005-04-27 | — | — | EP | disclosed |
| CN-1438890-A | Adenosine receptor modulators | HOFFMANNLA ROCHE AG F (CH) | 2003-08-27 | — | — | CN | disclosed |
| US-6586441-B2 | 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders | HOFFMAN-LA ROCHE INC. | 2003-07-01 | — | — | US | disclosed |
| EP-1261327-A2 | ADENOSINE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2002-12-04 | — | — | EP | disclosed |
| US-20010027196-A1 | Adenosine receptor ligands and their use in the treatment of disease | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-04 | — | — | US | disclosed |
| WO-2001062233-A2 | ADENOSINE RECEPTOR MODULATORS | F. HOFFMANN LA ROCHE AG (CH) | 2001-08-30 | — | — | 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 (1 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-20010027196-A1 | Adenosine receptor ligands and their use in the treatment of disease | ADORA2A, ADORA2B, ADORA1 | MGMT 3075/4885CDK1 3693/4885CCNB1 4436/4885 |
“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.