Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | LPL | P06858 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12078302 | 0.86 | NPC1 (0.47) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL1534854 | 0.82 | PTGS2 (0.53) | PTGS2CYP3A4LPLLIPGALDH1A1 | |
| SCHEMBL1534852 | 0.82 | PTGS2 (0.53) | PTGS2CYP3A4LPLLIPGALDH1A1 | |
| SCHEMBL15063855 | 0.79 | PTGS2 (0.36) | PTGS2 | |
| SCHEMBL7700304 | 0.74 | CNR1 (0.46) | CNR1CNR2PTGS2CYP3A4LPL | |
| SCHEMBL11819334 | 0.74 | IDO1 (0.41) | CNR1CNR2POLBCTDSP1PTGS2 | |
| SCHEMBL18854254 | 0.74 | POLB (0.38) | CNR1CNR2POLBCTDSP1PTGS2 | |
| SCHEMBL1636808 | 0.73 | CNR1 (0.39) | CNR1CNR2POLBCTDSP1LPL | |
| SCHEMBL10837690 | 0.73 | PTPN1 (0.32) | — | |
| SCHEMBL28826016 | 0.72 | HTT (0.41) | CNR1CNR2PTGS2CYP3A4LPL |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8026248-B2 | 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2011-09-27 | — | — | US | claimed |
| EP-1245567-B1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-02 | — | — | EP | claimed |
| US-20050197354-A1 | 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS | ANDRIES KOENRAAD JOZEF L M (BE) | 2005-09-08 | — | — | US | claimed |
| US-6903213-B2 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2005-06-07 | — | — | US | claimed |
| EP-0945443-B9 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-08-13 | — | — | EP | claimed |
| US-20030083317-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2003-05-01 | — | — | US | claimed |
| EP-0945443-B1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-02-12 | — | — | EP | claimed |
| EP-1245567-A1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-10-02 | — | — | EP | claimed |
| US-6440986-B2 | VIRICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2002-08-27 | — | — | US | claimed |
| US-20010011094-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2001-08-02 | — | — | US | claimed |
| WO-1999050250-A1 | HIV INHIBITING PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-10-07 | — | — | WO | claimed |
| EP-0945443-A1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-09-29 | — | — | EP | claimed |
| US-8026248-B2 | 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2011-09-27 | — | — | US | disclosed |
| EP-1245567-B1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-02 | — | — | EP | disclosed |
| US-20050197354-A1 | 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS | ANDRIES KOENRAAD JOZEF L M (BE) | 2005-09-08 | — | — | US | disclosed |
| US-20050192305-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF L M (BE) | 2005-09-01 | — | — | US | disclosed |
| US-20010011094-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2001-08-02 | — | — | US | disclosed |
| US-6197779-B1 | VIRICIDE | JANSSEN PHARMACEUTICA, INC. | 2001-03-06 | — | — | US | disclosed |
| WO-1999050250-A1 | HIV INHIBITING PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-10-07 | — | — | WO | disclosed |
| EP-0945443-A1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-09-29 | — | — | EP | 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 (4 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-20030083317-A1 | HIV inhibiting pyrimidine derivatives | CBR1, CCR1, CXCR1 | CNR1 17/4885CNR2 187/4885POLB 979/4885 |
| US-20050192305-A1 | HIV inhibiting pyrimidine derivatives | NR4A1, CCR5, NR4A3 | CNR1 20/4885CNR2 42/4885POLB 2027/4885 |
| US-20010011094-A1 | HIV inhibiting pyrimidine derivatives | CBR1, CCR1, NR4A1 | CNR1 21/4885CNR2 175/4885POLB 930/4885 |
| US-20050197354-A1 | 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS | HAVCR2, CBR1, NR4A1 | CNR1 44/4885CNR2 62/4885POLB 797/4885 |
“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.