Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | LDHB | P07195 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL26661112 | 0.86 | GAA (0.43) | ESR1ESR2GPR35GAAGFER | |
| SCHEMBL5244202 | 0.82 | ESR1 (0.48) | ESR1ESR2HDAC3HDAC1HDAC2 | |
| SCHEMBL5241179 | 0.82 | ESR1 (0.48) | ESR1ESR2GAACYP3A4ACHE | |
| SCHEMBL25946763 | 0.81 | ALDH1A1 (0.43) | NCOR2BCL2L1MCL1GPR35CYP3A4 | |
| SCHEMBL5306006 | 0.79 | PRNP (0.51) | GAATDP1 | |
| SCHEMBL10951715 | 0.79 | POLB (0.43) | ESR1ESR2BCL2L1MCL1GPR35 | |
| SCHEMBL11101687 | 0.79 | MCL1 (0.44) | ESR1ESR2BCL2L1MCL1GPR35 | |
| SCHEMBL1398747 | 0.77 | PRNP (0.53) | MCL1MEN1KMT2ATDP1 | |
| SCHEMBL29448323 | 0.77 | PRNP (0.53) | MCL1MEN1KMT2ATDP1 | |
| SCHEMBL10952539 | 0.76 | MCL1 (0.39) | ESR1ESR2BCL2L1MCL1GAA |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7923457-B2 | Quinoline derivatives | AGOURON PHARMACEUTICALS INC. (US) | 2011-04-12 | — | — | US | disclosed |
| US-7923457-B2 | Quinoline derivatives | AGOURON PHARMACEUTICALS INC. (US) | 2011-04-12 | — | — | US | disclosed |
| US-7923457-B2 | Quinoline derivatives | AGOURON PHARMACEUTICALS INC. (US) | 2011-04-12 | — | — | US | disclosed |
| US-20090069316-A1 | NOVEL QUINOLINE DERIVATIVES | AGOURON PHARMACEUTICALS, INC. | 2009-03-12 | — | — | US | disclosed |
| US-20090069316-A1 | NOVEL QUINOLINE DERIVATIVES | AGOURON PHARMACEUTICALS, INC. | 2009-03-12 | — | — | US | disclosed |
| US-20090069316-A1 | NOVEL QUINOLINE DERIVATIVES | AGOURON PHARMACEUTICALS, INC. | 2009-03-12 | — | — | US | disclosed |
| US-7381824-B2 | Quinoline derivatives | AGOURON PHARMACEUTICALS, INC. (US) | 2008-06-03 | — | — | US | disclosed |
| US-7381824-B2 | Quinoline derivatives | AGOURON PHARMACEUTICALS, INC. (US) | 2008-06-03 | — | — | US | disclosed |
| US-7381824-B2 | Quinoline derivatives | AGOURON PHARMACEUTICALS, INC. (US) | 2008-06-03 | — | — | US | disclosed |
| EP-1515975-B1 | BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE | PFIZER (US) | 2007-09-19 | — | — | EP | disclosed |
| EP-1699780-A1 | NOVEL QUINOLINE DERIVATIVES | Pfizer, Inc. (US) | 2006-09-13 | — | — | EP | disclosed |
| US-7045528-B2 | Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use | AGOURON PHARMACEUTICALS, INC. (US) | 2006-05-16 | — | — | US | disclosed |
| US-20060079548-A1 | Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use | AGOURON PHARMACEUTICALS, INC. | 2006-04-13 | — | — | US | disclosed |
| WO-2005063739-A1 | NOVEL QUINOLINE DERIVATIVES | PFIZER INC. (US) | 2005-07-14 | — | — | WO | disclosed |
| US-20050137395-A1 | Novel quinoline derivatives | AGOURON PHARMACEUTICALS, INC. | 2005-06-23 | — | — | US | disclosed |
| EP-1515975-A1 | BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE | PFIZER INC. (US) | 2005-03-23 | — | — | EP | disclosed |
| US-6869962-B2 | Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use | AGOURON PHARMACEUTICALS, INC. (US) | 2005-03-22 | — | — | US | disclosed |
| US-20040186126-A1 | Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use | AGOURON PHARMACEUTICALS, INC. | 2004-09-23 | — | — | US | disclosed |
| US-20040009965-A1 | Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use | AGOURON PHARMACEUTICALS, INC. | 2004-01-15 | — | — | US | disclosed |
| WO-2003106462-A1 | BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE | PFIZER INC. (US) | 2003-12-24 | — | — | 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 (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-20090069316-A1 | NOVEL QUINOLINE DERIVATIVES | COQ8B, COQ8A, MCM5 | ESR1 2896/4885ESR2 3326/4885HDAC3 638/4885 |
| US-20040186126-A1 | Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use | DPYD, DHFR, TYMP | ESR1 3836/4885ESR2 4064/4885HDAC3 533/4885 |
| US-20040009965-A1 | Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use | DPYD, DHFR, TYMP | ESR1 3836/4885ESR2 4064/4885HDAC3 533/4885 |
| US-20060079548-A1 | Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use | TPD52L2, DPYD, CCND2 | ESR1 3213/4885ESR2 4115/4885HDAC3 804/4885 |
“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.