Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 14/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 14/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 13/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12662987 | 1.00 | ESR1 (0.52) | ESR1ESR2ADRA2AADRA2CADRA2B | |
| SCHEMBL13380548 | 1.00 | ESR1 (0.52) | ESR1ESR2ADRA2AADRA2CADRA2B | |
| SCHEMBL17898055 | 0.83 | ADRA2A (0.52) | ADRA2AADRA2CADRA2B | |
| SCHEMBL81498 | 0.83 | ADRA2A (0.52) | ADRA2AADRA2CADRA2B | |
| SCHEMBL10293570 | 0.83 | ADRA2A (0.52) | ADRA2AADRA2CADRA2B | |
| SCHEMBL24518340 | 0.81 | CDK4 (0.47) | ESR1ESR2ADRA2AADRA2CADRA2B | |
| SCHEMBL1814699 | 0.81 | ADRA2C (0.56) | ESR1ESR2ADRA2AADRA2CADRA2B | |
| SCHEMBL188069 | 0.81 | ADRA2C (0.56) | ESR1ESR2ADRA2AADRA2CADRA2B | |
| SCHEMBL188192 | 0.81 | ADRA2A (0.41) | ESR1ESR2ADRA2AADRA2CADRA2B | |
| SCHEMBL15858055 | 0.81 | ADRA2A (0.52) | ESR1ESR2ADRA2AADRA2CADRA2B |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1557411-B1 | N-PHENYL-(2R,5S)DIMETHYLPIPERAZINE DERIVATIVE | ASTELLAS PHARMA INC (JP) | 2012-10-17 | — | — | EP | claimed |
| US-7666873-B2 | N-phenyl-(2R,5S)dimethylpiperazine derivative | ASTELLAS PHARMA INC. (JP) | 2010-02-23 | — | — | US | claimed |
| US-20080214543-A1 | N-Phenyl-(2R,5S)Dimethylpiperazine Derivative | ASTELLAS PHARMA INC. (JP) | 2008-09-04 | — | — | US | claimed |
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |
| US-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |
| US-20160194330-A1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | US | disclosed |
| WO-2014101113-A1 | PIPERAZINE-SUBSTITUTED 7-METHOXY-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2014-07-03 | — | — | WO | disclosed |
| WO-2014105664-A1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2014-07-03 | — | — | WO | disclosed |
| US-7297698-B2 | N-phenyl-(2R,5S) dimethylpiperazine derivative | ASTELLAS PHARMA INC. (JP) | 2007-11-20 | — | — | 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 (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-20160194330-A1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | ADORA2A, ADORA1, ADORA3 | ESR1 2625/4885ESR2 804/4885ADRA2A 46/4885 |
| US-20080214543-A1 | N-Phenyl-(2R,5S)Dimethylpiperazine Derivative | BPHL, AR, SRD5A2 | ESR1 795/4885ESR2 199/4885ADRA2A 896/4885 |
“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.