Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.52 |
| ▸ | CCR1 | P32246 | 1/20 | 0.52 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CALCA | P06881 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1380053 | 0.98 | CYP2C9 (0.71) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL2207753 | 0.89 | CYP2C9 (0.59) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL2205933 | 0.89 | CYP2C9 (0.59) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL420510 | 0.86 | CYP2C9 (1.00) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL12529638 | 0.83 | CYP2C9 (0.77) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL1749374 | 0.83 | CYP2C9 (0.95) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL1378294 | 0.83 | CYP2C9 (0.80) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL2634232 | 0.83 | CYP2C9 (0.80) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL1378474 | 0.82 | CYP2C9 (0.81) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL12529380 | 0.82 | CYP2C9 (0.78) | CYP2C9KCNH2KCNE1CCR1KCNQ1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4733986-B2 | — | — | 2011-07-27 | — | — | JP | claimed |
| US-7414045-B2 | Substituted pyrimido[1,2-a]azepines useful as HIV integrase inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-08-19 | — | — | US | claimed |
| US-20060046985-A1 | Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors | MSD ITALIA S.R.L. (IT) | 2006-03-02 | — | — | US | claimed |
| EP-1578748-A1 | TETRAHYDRO-4H-PYRIDO [1, 2-A] PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2005-09-28 | — | — | EP | claimed |
| WO-2004058756-A1 | TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2004-07-15 | — | — | WO | claimed |
| US-7968553-B2 | e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2011-06-28 | — | — | US | disclosed |
| US-7968553-B2 | e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2011-06-28 | — | — | US | disclosed |
| US-7968553-B2 | e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2011-06-28 | — | — | US | disclosed |
| US-7414045-B2 | Substituted pyrimido[1,2-a]azepines useful as HIV integrase inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-08-19 | — | — | US | disclosed |
| US-7414045-B2 | Substituted pyrimido[1,2-a]azepines useful as HIV integrase inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-08-19 | — | — | US | disclosed |
| US-7414045-B2 | Substituted pyrimido[1,2-a]azepines useful as HIV integrase inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-08-19 | — | — | US | disclosed |
| US-20080176869-A1 | Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors | MSD ITALIA S.R.L. (IT) | 2008-07-24 | — | — | US | disclosed |
| US-20080176869-A1 | Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors | MSD ITALIA S.R.L. (IT) | 2008-07-24 | — | — | US | disclosed |
| US-20080176869-A1 | Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors | MSD ITALIA S.R.L. (IT) | 2008-07-24 | — | — | 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 (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-20060046985-A1 | Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors | TYMS, TYMP, HPRT1 | CYP2C9 754/4885KCNH2 3284/4885KCNE1 3737/4885 |
| US-20080176869-A1 | Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors | TYMS, TYMP, DPYD | CYP2C9 740/4885KCNH2 3301/4885KCNE1 3640/4885 |
“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.