Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.77 |
| ▸ | RAB9A | P51151 | 2/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.77 |
| ▸ | AGPAT2 | O15120 | 12/20 | 0.69 |
| ▸ | POLA1 | P09884 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13879259 | 0.91 | NPC1 (0.71) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL13880274 | 0.82 | AGPAT2 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL13880211 | 0.82 | AGPAT2 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL13880171 | 0.81 | AGPAT2 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2410497 | 0.80 | RAB9A (0.62) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2410637 | 0.80 | RAB9A (0.83) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4284748 | 0.80 | AGPAT2 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL13880263 | 0.80 | AGPAT2 (0.75) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2409058 | 0.79 | HTR3E (0.71) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL31337029 | 0.79 | SCN9A (0.82) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0945442-A1 | Trisubstituted 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 |
| 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 |
| EP-0945443-B9 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-08-13 | — | — | EP | disclosed |
| EP-0945443-B1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-02-12 | — | — | EP | disclosed |
| EP-1245567-A1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-10-02 | — | — | EP | disclosed |
| US-6440986-B2 | VIRICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2002-08-27 | — | — | 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-0945442-A1 | Trisubstituted pyrimidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-09-29 | — | — | EP | 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 (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-20050192305-A1 | HIV inhibiting pyrimidine derivatives | NR4A1, CCR5, NR4A3 | NPC1 375/4885RAB9A 3045/4885CYP1A2 134/4885 |
| US-20010011094-A1 | HIV inhibiting pyrimidine derivatives | CBR1, CCR1, NR4A1 | NPC1 369/4885RAB9A 3781/4885CYP1A2 227/4885 |
| 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 | NPC1 155/4885RAB9A 3220/4885CYP1A2 244/4885 |
“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.