Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | JAK2 | O60674 | 5/20 | 0.41 |
| ▸ | JAK1 | P23458 | 5/20 | 0.41 |
| ▸ | JAK3 | P52333 | 5/20 | 0.41 |
| ▸ | CCNK | O75909 | 3/20 | 0.41 |
| ▸ | CDK12 | Q9NYV4 | 3/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2263186 | 0.93 | KCNH2 (0.56) | KCNH2CYP2C9JAK2JAK1JAK3 | |
| SCHEMBL2263621 | 0.93 | KCNH2 (0.56) | KCNH2CYP2C9JAK2JAK1JAK3 | |
| SCHEMBL2262621 | 0.93 | KCNH2 (0.58) | KCNH2CYP2C9JAK2JAK1JAK3 | |
| SCHEMBL2262210 | 0.91 | KCNH2 (0.54) | KCNH2CYP2C9MLYCDPTK2 | |
| SCHEMBL2261142 | 0.89 | KCNH2 (0.51) | KCNH2CYP2C9JAK2JAK1JAK3 | |
| SCHEMBL2262238 | 0.88 | KCNH2 (0.52) | KCNH2CYP2C9JAK2JAK1JAK3 | |
| SCHEMBL2264155 | 0.88 | KCNH2 (0.53) | KCNH2CYP2C9JAK2JAK1JAK3 | |
| SCHEMBL2260086 | 0.87 | KCNH2 (0.51) | KCNH2CYP2C9JAK2JAK1JAK3 | |
| SCHEMBL2263740 | 0.85 | KCNH2 (0.47) | KCNH2CYP2C9CCNKCDK12CYP2C19 | |
| SCHEMBL2265006 | 0.85 | KCNH2 (0.51) | KCNH2CYP2C9JAK1CCNKCDK12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2089384-B1 | 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2015-08-05 | — | — | EP | claimed |
| US-7998969-B2 | enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases | ROCHE PALO ALTO LLC (US) | 2011-08-16 | — | — | US | claimed |
| EP-2089384-A2 | 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2009-08-19 | — | — | EP | claimed |
| US-20080146595-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | claimed |
| WO-2008071587-A2 | 2-(PIPERIDIN-4-YL)-4-PHENOXY- OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-19 | — | — | WO | claimed |
| EP-2089384-B1 | 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2015-08-05 | — | — | EP | disclosed |
| US-7998969-B2 | enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases | ROCHE PALO ALTO LLC (US) | 2011-08-16 | — | — | US | disclosed |
| EP-2089384-A2 | 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2009-08-19 | — | — | EP | disclosed |
| US-20080146595-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | disclosed |
| WO-2008071587-A2 | 2-(PIPERIDIN-4-YL)-4-PHENOXY- OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-19 | — | — | WO | 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 (1 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-20080146595-A1 | Non-nucleoside reverse transcriptase inhibitors | NQO2, SAMHD1, POLR2A | KCNH2 4033/4885CYP2C9 1382/4885JAK2 3419/4885 |
“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.