Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORB | Q92753 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4707061 | 0.81 | KMT2A (0.46) | RORBKMT2ACES2CES1RECQL | |
| SCHEMBL1643690 | 0.81 | RECQL (0.49) | RORBKMT2ACES2CES1RECQL | |
| SCHEMBL20991113 | 0.81 | RORB (0.60) | RORBKMT2ACES2CES1RECQL | |
| SCHEMBL4706785 | 0.79 | CTNNB1 (0.46) | KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL6669054 | 0.79 | NAPRT (0.58) | RORBKMT2ACES2CES1RECQL | |
| SCHEMBL4705926 | 0.79 | CES2 (0.47) | KMT2ACES2CES1ALDH1A1GRM4 | |
| SCHEMBL29896666 | 0.79 | CES2 (0.47) | KMT2ACES2CES1ALDH1A1GRM4 | |
| SCHEMBL50416 | 0.79 | CES2 (0.71) | RORBKMT2ACES2CES1RECQL | |
| SCHEMBL29399311 | 0.79 | CES2 (0.71) | RORBKMT2ACES2CES1RECQL | |
| SCHEMBL4707275 | 0.79 | AKR1C3 (0.52) | KMT2AALDH1A1SMN1; SMN2LMNAPOLB |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10287287-B2 | Process development of a pyridine-containing NK-1 receptor antagonist | ELI LILLY AND COMPANY (US) | 2019-05-14 | — | — | US | disclosed |
| CN-1863791-B | Novel crystalline forms of {2-[1-(3,5-bis-trifluoromethylbenzyl)-5-pyridin-4-yl-1h-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chlorophenyl)-methanone | ELI LILLY AND CO. (US) | 2011-12-07 | — | — | CN | disclosed |
| EP-1675846-B1 | NOVEL CRYSTALLINE FORMS OF {2-[1-(3,5-BIS-TRIFLUOROMETHYLBENZYL)-5-PYRIDIN-4-YL-1H- [1,2,3]TRIAZOL-4-YL]-PYRIDIN-3-YL}-(2-CHLOROPHENYL)-METHANONE | LILLY CO ELI (US) | 2010-03-31 | — | — | EP | disclosed |
| US-7381826-B2 | Crystalline forms of {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chlorophenyl)-methanone | ELI LILLY AND COMPANY (US) | 2008-06-03 | — | — | US | disclosed |
| US-7320994-B2 | Triazole derivatives as tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 2008-01-22 | — | — | US | disclosed |
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |
| CN-1312136-C | Triazole derivatives as tachykinin receptor antagonists | LILLY CO ELI (US) | 2007-04-25 | — | — | CN | disclosed |
| US-20070078166-A1 | Novel crystalline forms of {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1h-[1,2,3] triazol-4-yl]-pyridin-3-yl}-(2-chlorophenyl)-methanone | ELI LILLY AND COMPANY PATENT DIVISION (US) | 2007-04-05 | — | — | US | disclosed |
| CN-1863791-A | Novel crystalline forms of {2-[1-(3,5-bis-trifluoromethylbenzyl)-5-pyridin-4-yl-1h-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chlorophenyl)-methanone | LILLY CO ELI (US) | 2006-11-15 | — | — | CN | disclosed |
| EP-1675846-A1 | NOVEL CRYSTALLINE FORMS OF {2-[1-(3,5-BIS-TRIFLUOROMETHYLBENZYL)-5-PYRIDIN-4-YL-1H- [1,2,3]TRIAZOL-4-YL]-PYRIDIN-3-YL}-(2-CHLOROPHENYL)-METHANONE | ELI LILLY AND COMPANY (US) | 2006-07-05 | — | — | EP | disclosed |
| US-20050239786-A1 | Triazole derivatives as tachykinin receptor antagonists | ELI LILLY COMPANY (US) | 2005-10-27 | — | — | US | disclosed |
| CN-1646502-A | Triazole derivatives as tachykinin receptor antagonists | LILLY CO ELI (US) | 2005-07-27 | — | — | CN | disclosed |
| WO-2005042515-A1 | NOVEL CRYSTALLINE FORMS OF {2-[1-(3,5-BIS-TRIFLUOROMETHYLBENZYL)-5-PYRIDIN-4-YL-1H-[1,2,3]TRIAZOL-4-YL]-PYRIDIN-3-YL}-(2-CHLOROPHENYL)-METHANONE | ELI LILLY AND COMPANY (US) | 2005-05-12 | — | — | WO | disclosed |
| EP-1501809-A1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003091226-A1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2003-11-06 | — | — | 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 (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-20050239786-A1 | Triazole derivatives as tachykinin receptor antagonists | TACR1, TACR2, BDKRB1 | RORB 2614/4885KMT2A 2325/4885CES2 2856/4885 |
| US-10287287-B2 | Process development of a pyridine-containing NK-1 receptor antagonist | KLRK1, TACR2, TACR1 | RORB 1365/4885KMT2A 1237/4885CES2 4359/4885 |
| US-20070078166-A1 | Novel crystalline forms of {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1h-[1,2,3] triazol-4-yl]-pyridin-3-yl}-(2-chlorophenyl)-methanone | PLK2, PDXK, PLK3 | RORB 2754/4885KMT2A 2549/4885CES2 4327/4885 |
“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.