Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.47 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TGM2 | P21980 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3247948 | 0.90 | TAAR1 (0.56) | TAAR1SLC2A1KCNH2LMNAMAPT | |
| SCHEMBL4415371 | 0.89 | APP (0.50) | TAAR1SLC2A1KCNH2LMNAMAPT | |
| SCHEMBL2409626 | 0.86 | SLC2A1 (0.56) | SLC2A1LMNAMAPTHTTNPSR1 | |
| SCHEMBL6791894 | 0.85 | TAAR1 (0.73) | TAAR1SLC2A1LMNAMAPTHTT | |
| SCHEMBL3243396 | 0.84 | NUDT1 (0.58) | LMNAMAPTNPC1RAB9ATP53 | |
| SCHEMBL29609269 | 0.84 | NUDT1 (0.58) | LMNAMAPTNPC1RAB9ATP53 | |
| SCHEMBL8524757 | 0.83 | MEN1 (0.44) | TAAR1SLC2A1LMNAMAPTHTT | |
| SCHEMBL8253278 | 0.82 | MAPT (0.74) | TAAR1SLC2A1KCNH2LMNAMAPT | |
| SCHEMBL3246140 | 0.81 | MAPT (0.58) | TAAR1SLC2A1KCNH2LMNAMAPT | |
| SCHEMBL6789185 | 0.80 | TAAR1 (0.62) | TAAR1SLC2A1KCNH2LMNAMAPT |
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 22 patents — showing the first 20. 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 |
| EP-2140864-A2 | Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods | H.Lundbeck A/S (DK) | 2010-01-06 | — | — | EP | disclosed |
| EP-2140862-A2 | Use of GAL 3 receptor antagonists for the treatment of depression and /or anxiety and compounds useful in such methods | H.Lundbeck A/S (DK) | 2010-01-06 | — | — | EP | disclosed |
| US-7465750-B2 | Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods | H. LUNDBECK A/S (US) | 2008-12-16 | — | — | US | disclosed |
| US-20070259942-A1 | Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods | BLACKBURN THOMAS P | 2007-11-08 | — | — | 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 |
| US-6903213-B2 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2005-06-07 | — | — | US | disclosed |
| US-20040127502-A1 | Use of GAL3 antagonist for treatment of depression | SYNAPTIC PHARMACEUTICAL CORPORATION | 2004-07-01 | — | — | US | disclosed |
| US-20030083317-A1 | HIV inhibiting pyrimidine derivatives | ANDRIES KOENRAAD JOZEF LODEWIJ (BE) | 2003-05-01 | — | — | US | disclosed |
| US-20030078271-A1 | Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods | SYNAPTIC PHARMACEUTICAL CORPORATION | 2003-04-24 | — | — | US | 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 (7 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 | TAAR1 206/4885SLC2A1 3384/4885KCNH2 864/4885 |
| US-20050192305-A1 | HIV inhibiting pyrimidine derivatives | NR4A1, CCR5, NR4A3 | TAAR1 222/4885SLC2A1 1908/4885KCNH2 737/4885 |
| US-20010011094-A1 | HIV inhibiting pyrimidine derivatives | CBR1, CCR1, NR4A1 | TAAR1 208/4885SLC2A1 3290/4885KCNH2 819/4885 |
| US-20030078271-A1 | Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods | GALR3, GALR2, GALR1 | TAAR1 242/4885SLC2A1 1938/4885KCNH2 1629/4885 |
| 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 | TAAR1 159/4885SLC2A1 1982/4885KCNH2 1050/4885 |
| US-20040127502-A1 | Use of GAL3 antagonist for treatment of depression | GALR3, GALR2, GALR1 | TAAR1 270/4885SLC2A1 1700/4885KCNH2 1208/4885 |
| US-20070259942-A1 | Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods | GALR3, GALR2, GALR1 | TAAR1 275/4885SLC2A1 1903/4885KCNH2 1416/4885 |
“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.