Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 12/20 | 0.84 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.84 |
| ▸ | SCN5A | Q14524 | 8/20 | 0.84 |
| ▸ | IKBKB | O14920 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | SYK | P43405 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CDK4 | P11802 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12158707 | 0.81 | JAK2 (0.59) | SCN9AKCNH2SCN5AIKBKBSYK | |
| SCHEMBL23780649 | 0.81 | SCN9A (0.72) | SCN9AKCNH2SCN5AIKBKBMEN1 | |
| SCHEMBL4486162 | 0.81 | KCNH2 (0.58) | SCN9AKCNH2SCN5AIKBKBMEN1 | |
| SCHEMBL13713315 | 0.81 | KCNH2 (0.58) | SCN9AKCNH2SCN5AIKBKBMEN1 | |
| SCHEMBL3697392 | 0.81 | KCNH2 (0.58) | SCN9AKCNH2SCN5AIKBKBMEN1 | |
| SCHEMBL867999 | 0.81 | KCNH2 (0.58) | SCN9AKCNH2SCN5AIKBKBMEN1 | |
| SCHEMBL1741981 | 0.79 | KCNH2 (0.55) | SCN9AKCNH2SCN5AIKBKBMEN1 | |
| SCHEMBL2864184 | 0.78 | CYP2C19 (0.56) | SCN9AKCNH2SCN5AIKBKBMEN1 | |
| SCHEMBL1881253 | 0.78 | CDC7 (0.61) | SCN9AKCNH2SCN5AIKBKBMEN1 | |
| SCHEMBL18594621 | 0.78 | SCN9A (0.67) | SCN9AKCNH2SCN5AIKBKBCDK2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9192577-B2 | Pharmaceutical compositions comprising a basic drug compound, a surfactant, and a physiologically tolerable water soluble acid | JANSSEN PHARMACEUTICA NV (BE) | 2015-11-24 | — | — | US | disclosed |
| US-20140343006-A1 | HIV Replication Inhibiting Pyrimidines | JANSSEN PHARMACEUTICA NV (NL) | 2014-11-20 | — | — | US | disclosed |
| EP-1529032-B1 | PROCESSES FOR THE PREPARATION OF 4- 4- 4-(2 -CYANOETHENYL)-2,6-DIMETHYLPHENYL )AMINO) -2-PYRIMIDINYL)AMINO BENZONITRILE | JANSSEN PHARMACEUTICA NV (BE) | 2013-04-24 | — | — | EP | disclosed |
| US-20120076835-A1 | HIV INHIBITING PYRIMIDINES DERIVATIVES | GUILLEMONT JEROME EMILE GEORGES (FR) | 2012-03-29 | — | — | US | disclosed |
| US-8080551-B2 | HIV inhibiting pyrimidines derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2011-12-20 | — | — | US | disclosed |
| US-7705148-B2 | substituted diaminopyrimidine compounds having HIV inhibiting properties; reacting 4-(2-cyanoethenyl)-2,6-dimethylbenzenamine with an intermediate (4-cyano, 2-pyrimidine- aniline derivative; reaction with acrylonitril | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-04-27 | — | — | US | disclosed |
| US-7563922-B2 | catalytic chemical preparation of intermediate 4-(2-cyanoethenyl)-2,6-dimethylbenzenamine stereoisomers in presence of palladium chloride; having HIV inhibiting properties | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-07-21 | — | — | US | disclosed |
| US-7399856-B2 | substituted diaminopyrimidine compounds having HIV inhibiting properties; reacting 4-(2-cyanoethenyl)-2,6-dimethylbenzenamine with an intermediate (4-cyano, 2-pyrimidine- aniline derivative; reaction with acrylonitril | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-07-15 | — | — | US | disclosed |
| US-20080167464-A1 | substituted diaminopyrimidine compounds having HIV inhibiting properties; reacting 4-(2-cyanoethenyl)-2,6-dimethylbenzenamine with an intermediate (4-cyano, 2-pyrimidine- aniline derivative; reaction with acrylonitril | SCHILS DIDIER PHILIPPE ROBERT | 2008-07-10 | — | — | US | disclosed |
| US-20070191407-A1 | catalytic chemical preparation of intermediate 4-(2-cyanoethenyl)-2,6-dimethylbenzenamine stereoisomers in presence of palladium chloride; having HIV inhibiting properties | SCHILS DIDIER P R | 2007-08-16 | — | — | 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 (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-20140343006-A1 | HIV Replication Inhibiting Pyrimidines | RRM2B, CCNO, RRM2 | SCN9A 3362/4885KCNH2 1547/4885SCN5A 3482/4885 |
| US-20070191407-A1 | catalytic chemical preparation of intermediate 4-(2-cyanoethenyl)-2,6-dimethylbenzenamine stereoisomers in presence of palladium chloride; having HIV inhibiting properties | POLN, IDH3B, IDH1 | SCN9A 415/4885KCNH2 1472/4885SCN5A 518/4885 |
| US-20120076835-A1 | HIV INHIBITING PYRIMIDINES DERIVATIVES | TYMS, PNP, DUT | SCN9A 3227/4885KCNH2 3671/4885SCN5A 3177/4885 |
| US-20080167464-A1 | substituted diaminopyrimidine compounds having HIV inhibiting properties; reacting 4-(2-cyanoethenyl)-2,6-dimethylbenzenamine with an intermediate (4-cyano, 2-pyrimidine- aniline derivative; reaction with acrylonitril | DPYD, PAH, PNP | SCN9A 734/4885KCNH2 1699/4885SCN5A 543/4885 |
“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.