Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.43 |
| ▸ | AXL | P30530 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.40 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3507602 | 0.89 | CYP2C9 (0.45) | AAK1CYP2C9MTNR1AMTNR1BAXL | |
| SCHEMBL12459555 | 0.86 | CYP2C9 (0.51) | AAK1CYP2C9MTNR1AMTNR1BAXL | |
| SCHEMBL2882894 | 0.85 | CYP2D6 (0.59) | AAK1CYP2C9AXLCYP2D6PAK1 | |
| SCHEMBL3705466 | 0.85 | CYP3A4 (0.52) | AAK1CYP2C9AXLCYP2D6CYP3A4 | |
| SCHEMBL2351339 | 0.85 | CYP2C9 (0.48) | AAK1CYP2C9AXLCYP3A4PAK1 | |
| SCHEMBL2356427 | 0.85 | BRAF (0.50) | CYP2C9CYP2D6CYP3A4PAK1 | |
| SCHEMBL3506159 | 0.83 | BRAF (0.51) | AAK1CYP2C9AXLCYP2D6CYP3A4 | |
| SCHEMBL2883743 | 0.83 | CYP2C9 (0.46) | AAK1CYP2C9AXLCYP2D6CYP3A4 | |
| SCHEMBL2357072 | 0.83 | CYP2C9 (0.49) | CYP2C9CYP3A4PAK1 | |
| SCHEMBL3711724 | 0.82 | AAK1 (0.55) | AAK1MTNR1AMTNR1BAXLNEK1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8470818-B2 | Compounds and methods for kinase modulation, and indications therefor | PLEXXIKON INC. (US) | 2013-06-25 | — | — | US | claimed |
| US-20100249118-A1 | protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents | PLEXXIKON INC. | 2010-09-30 | — | — | US | claimed |
| US-8299267-B2 | (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating | COMENTIS, INC. (US) | 2012-10-30 | — | — | US | disclosed |
| US-20120122860-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | PLEXXIKON, INC. | 2012-05-17 | — | — | US | disclosed |
| WO-2010129570-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | PLEXXIKON, INC. (US) | 2010-11-11 | — | — | WO | disclosed |
| US-20100286170-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC | 2010-11-11 | — | — | US | disclosed |
| US-20100286145-A1 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | COMENTIS, INC. (US) | 2010-11-11 | — | — | US | disclosed |
| EP-2205596-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2010-07-14 | — | — | EP | disclosed |
| EP-2178837-A2 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | COMENTIS, INC. (US) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009042694-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2009-04-02 | — | — | WO | disclosed |
| WO-2009015369-A2 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2009-01-29 | — | — | 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-20100249118-A1 | protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents | MAP4K1, MAP4K2, MAP3K1 | AAK1 120/4885CYP2C9 4869/4885MTNR1A 2991/4885 |
| US-20120122860-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | BRAF, RAF1, ARAF | AAK1 247/4885CYP2C9 2176/4885MTNR1A 3999/4885 |
| US-20100286145-A1 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | BACE1, BACE2, APP | AAK1 1553/4885CYP2C9 4401/4885MTNR1A 1447/4885 |
| US-20100286170-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | BACE1, BACE2, PSEN1 | AAK1 1280/4885CYP2C9 4665/4885MTNR1A 1914/4885 |
“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.