Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | MMP13 | P45452 | 8/20 | 0.37 |
| ▸ | CALCA | P06881 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MMP10 | P09238 | 3/20 | 0.33 |
| ▸ | MMP8 | P22894 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1375871 | 0.90 | KCNH2 (0.77) | KCNH2CYP2C9CALCAMAPTALDH1A1 | |
| SCHEMBL14097958 | 0.89 | CYP2C9 (0.62) | KCNH2CYP2C9MMP13CALCAMAPT | |
| SCHEMBL1376275 | 0.87 | KCNH2 (0.63) | KCNH2CYP2C9MMP13CALCAMAPT | |
| SCHEMBL1377062 | 0.87 | CYP2C9 (0.77) | KCNH2CYP2C9MMP13CALCAMAPT | |
| SCHEMBL1376381 | 0.85 | CYP2C9 (0.81) | KCNH2CYP2C9MMP13CALCAMAPT | |
| SCHEMBL1375805 | 0.84 | CYP2C9 (0.65) | KCNH2CYP2C9MMP13CALCAMAPT | |
| SCHEMBL1375771 | 0.83 | KCNH2 (0.75) | KCNH2CYP2C9CALCAMAPTALDH1A1 | |
| SCHEMBL1380585 | 0.83 | KCNH2 (0.63) | KCNH2CYP2C9MMP13MAPTLMNA | |
| SCHEMBL1377078 | 0.81 | CYP2C9 (0.77) | KCNH2CYP2C9CALCAMAPTALDH1A1 | |
| SCHEMBL1749433 | 0.81 | CYP2C9 (0.79) | KCNH2CYP2C9CALCAMAPTLMNA |
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 15 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-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 | claimed |
| 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 | 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-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 |
| 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 | 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 | KCNH2 3284/4885CYP2C9 754/4885MMP13 4603/4885 |
| US-20080176869-A1 | Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors | TYMS, TYMP, DPYD | KCNH2 3301/4885CYP2C9 740/4885MMP13 4463/4885 |
“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.