Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.61 |
| ▸ | HTR2A | P28223 | 3/20 | 0.61 |
| ▸ | HTR1D | P28221 | 9/20 | 0.47 |
| ▸ | HTR6 | P50406 | 3/20 | 0.40 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | BPTF | Q12830 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6754186 | 0.91 | HTR2A (0.50) | HTR2CHTR2AHTR1DNOS3NOS1 | |
| SCHEMBL1451115 | 0.87 | HTR2C (0.61) | HTR2CHTR2AHTR1DHTR6NOS3 | |
| SCHEMBL27761660 | 0.84 | SCN9A (0.46) | HTR2CHTR2AHTR1DHTR6NOS3 | |
| SCHEMBL16719793 | 0.83 | HTR2A (0.40) | HTR2CHTR2AHTR1DCDK4CCND1 | |
| SCHEMBL694594 | 0.81 | CDK4 (0.41) | HTR2CHTR2ACDK4CCND1 | |
| SCHEMBL5814894 | 0.79 | CDK4 (0.44) | HTR2CHTR2ACDK4CCND1 | |
| SCHEMBL1450476 | 0.78 | CDK4 (0.41) | HTR2CHTR2ACDK4CCND1 | |
| SCHEMBL27382849 | 0.78 | CDK4 (0.41) | HTR2CHTR2AHTR6CDK4CCND1 | |
| SCHEMBL189124 | 0.78 | CDK4 (0.35) | HTR2CHTR2ACDK4CCND1 | |
| SCHEMBL3198506 | 0.77 | GLO1 (0.39) | HTR2CHTR2AHTR6CDK4CCND1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | claimed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | US | claimed |
| US-8288396-B2 | Pyrimidopyrimidoindazole derivative | MSDKK (JP) | 2012-10-16 | — | — | US | disclosed |
| US-20120134955-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-05-31 | — | — | US | disclosed |
| EP-2401281-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010098367-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |
| CN-100558355-C | Indole-5 sulfamide derivative and preparation and its purposes as the 5-HT-6 regulator | ESTEVE LABOR DR (ES) | 2009-11-11 | — | — | CN | disclosed |
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | 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-20040077646-A1 | Indole nitriles | TPH1, IDO1, NAT1 | HTR2C 69/4885HTR2A 114/4885HTR1D 36/4885 |
| US-20120134955-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | WEE1, WEE2, DCK | HTR2C 3786/4885HTR2A 4687/4885HTR1D 4072/4885 |
“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.