Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8341024 | 0.72 | TDP1 (0.33) | BACE1TSHRTDP1 | |
| SCHEMBL17205110 | 0.65 | PDE4B (0.44) | — | |
| SCHEMBL19013132 | 0.62 | PDE4B (0.41) | — | |
| SCHEMBL24554899 | 0.58 | PDE4B (0.46) | — | |
| SCHEMBL7539674 | 0.58 | TSHR (0.42) | BACE1TSHRTDP1 | |
| SCHEMBL9402183 | 0.54 | MAPT (0.44) | BACE1TSHRTDP1 | |
| SCHEMBL13527924 | 0.54 | TDP1 (0.80) | BACE1TSHRTDP1 | |
| SCHEMBL3215238 | 0.53 | TSHR (0.48) | BACE1TSHRTDP1 | |
| SCHEMBL9242424 | 0.53 | — | — | |
| SCHEMBL593886 | 0.53 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10335413-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2019-07-02 | — | — | US | disclosed |
| US-20180333417-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2018-11-22 | — | — | US | disclosed |
| US-9918987-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2018-03-20 | — | — | US | disclosed |
| US-20170027946-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2017-02-02 | — | — | US | disclosed |
| US-9492457-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| EP-2963040-A1 | SUBSTITUTED XANTHINE DERIVATIVES | Concert Pharmaceuticals Inc. (US) | 2016-01-06 | — | — | EP | disclosed |
| US-20150376665-A1 | PROCESS FOR PREPARING AN ENANTIOMERICALLY ENRICHED, DEUTERATED SECONDARY ALCOHOL FROM A CORRESPONDING KETONE WITHOUT REDUCING DEUTERIUM INCORPORATION | CONCERT PHARMACEUTICALS, INC. | 2015-12-31 | — | — | US | disclosed |
| US-20150272956-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2015-10-01 | — | — | US | disclosed |
| US-9085788-B2 | Process for preparing an enantiomerically enriched, deuterated secondary alcohol from a corresponding ketone without reducing deuterium incorporation | CONCERT PHARMACEUTICALS, INC. (US) | 2015-07-21 | — | — | US | disclosed |
| US-9074233-B2 | Process for preparing an enantiomerically enriched, deuterated secondary alcohol from a corresponding ketone without reducing deuterium incorporation | CONCERT PHARMACEUTICALS, INC. (US) | 2015-07-07 | — | — | US | disclosed |
| EP-2473053-A1 | SUBSTITUTED XANTHINE DERIVATIVES | Concert Pharmaceuticals Inc. (US) | 2012-07-11 | — | — | EP | disclosed |
| WO-2012031068-A1 | METHOD OF UTILIZING RECYCLED DEUTERIUM OXIDE IN THE SYNTHESIS OF DEUTERATED COMPOUNDS | CONCERT PHARMACEUTICALS, INC. (US) | 2012-03-08 | — | — | WO | disclosed |
| WO-2012031138-A2 | POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE | CONCERT PHARMACEUTICALS, INC. (US) | 2012-03-08 | — | — | WO | disclosed |
| WO-2012031073-A1 | PROCESS FOR PREPARING AN ENANTIOMERICALLY ENRICHED, DEUTERATED SECONDARY ALCOHOL FROM A CORRESPONDING KETONE WITHOUT REDUCING DEUTERIUM INCORPORATION | CONCERT PHARMACEUTICALS, INC. (US) | 2012-03-08 | — | — | WO | disclosed |
| WO-2012031072-A1 | PROCESS FOR PREPARING AN ENANTIOMERICALLY ENRICHED, DEUTERATED SECONDARY ALCOHOL FROM A CORRESPONDING KETONE WITHOUT REDUCING DEUTERIUM INCORPORATION | CONCERT PHARMACEUTICALS, INC. (US) | 2012-03-08 | — | — | WO | disclosed |
| WO-2011156632-A2 | COMPOSITIONS AND METHODS OF TREATMENT FOR TUMORS IN THE NERVOUS SYSTEM | GEORGETOWN UNIVERSITY (US) | 2011-12-15 | — | — | WO | disclosed |
| US-20110077255-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2011-03-31 | — | — | US | disclosed |
| WO-2011028922-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-03-10 | — | — | WO | disclosed |
| US-20110053961-A1 | SUBSTITUTED XANTHINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2011-03-03 | — | — | US | disclosed |
| CN-1030451-C | Process for preparing benzothiazole derivatives | EISAI CO LTD (JP) | 1995-12-06 | — | — | CN | 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 (7 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-20110077255-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | BACE1 1646/4885TSHR 3088/4885TDP1 297/4885 |
| US-20110053961-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | BACE1 1646/4885TSHR 3088/4885TDP1 297/4885 |
| US-20170027946-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | BACE1 1646/4885TSHR 3088/4885TDP1 297/4885 |
| US-20150272956-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | BACE1 1646/4885TSHR 3088/4885TDP1 297/4885 |
| US-10335413-B2 | Substituted xanthine derivatives | XDH, HPRT1, CXCR3 | BACE1 1646/4885TSHR 3088/4885TDP1 297/4885 |
| US-20150376665-A1 | PROCESS FOR PREPARING AN ENANTIOMERICALLY ENRICHED, DEUTERATED SECONDARY ALCOHOL FROM A CORRESPONDING KETONE WITHOUT REDUCING DEUTERIUM INCORPORATION | ADH1A, ADH1C, ADH5 | BACE1 3417/4885TSHR 2793/4885TDP1 2536/4885 |
| US-20180333417-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | BACE1 1646/4885TSHR 3088/4885TDP1 297/4885 |
“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.