Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of 2-Piperazin-1-Yl-Pyrimidine. 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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.51 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.91 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.91 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | CASP4 | P49662 | 1/20 | 0.52 |
| ▸ | CASP5 | P51878 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL893739 | 0.98 | ALDH1A1 (0.95) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL169214 | 0.98 | ALDH1A1 (0.95) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL27920766 | 0.95 | ALDH1A1 (0.91) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL27324991 | 0.95 | ALDH1A1 (0.91) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL924147 | 0.95 | ALDH1A1 (1.00) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL101561 | 0.95 | ALDH1A1 (1.00) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL6861317 | 0.93 | ALDH1A1 (0.96) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| SCHEMBL1254909 | 0.90 | ALDH1A1 (0.81) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL27146448 | 0.88 | ALDH1A1 (0.85) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL28926339 | 0.86 | KDM4E (0.75) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7160888-B2 | [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia | WARNER LAMBERT COMPANY LLC (US) | 2007-01-09 | — | — | US | disclosed |
| US-20060287309-A1 | [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC | 2006-12-21 | — | — | US | disclosed |
| US-20060287310-A1 | [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC | 2006-12-21 | — | — | US | disclosed |
| EP-1660497-A1 | [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | Warner-Lambert Company LLC (US) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005019215-A1 | [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC (US) | 2005-03-03 | — | — | WO | disclosed |
| US-20050043309-A1 | [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia | WARNER-LAMBERT COMPANY LLC | 2005-02-24 | — | — | 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-20050043309-A1 | [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia | DRD1, DRD2, DRD3 | ADRB1 371/4885SLC6A4 1410/4885ALDH1A1 1148/4885 |
| US-20060287309-A1 | [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | DRD1, DRD2, DRD3 | ADRB1 371/4885SLC6A4 1410/4885ALDH1A1 1148/4885 |
| US-20060287310-A1 | [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | DRD1, DRD2, DRD3 | ADRB1 371/4885SLC6A4 1410/4885ALDH1A1 1148/4885 |
“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.