Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 2/20 | 0.63 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.63 |
| ▸ | CDK2 | P24941 | 2/20 | 0.63 |
| ▸ | CDK9 | P50750 | 2/20 | 0.63 |
| ▸ | KMO | O15229 | 2/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.57 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.57 |
| ▸ | AURKA | O14965 | 1/20 | 0.57 |
| ▸ | PRKACA | P17612 | 1/20 | 0.57 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.56 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.56 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.56 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.56 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.54 |
| ▸ | CTSS | P25774 | 1/20 | 0.52 |
| ▸ | XDH | P47989 | 1/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL23657850 | 0.86 | CCNT1 (0.53) | CCNT1CCNA2CDK2CDK9KMO | |
| SCHEMBL13273287 | 0.81 | KMO (0.62) | CCNT1CCNA2CDK2CDK9KMO | |
| SCHEMBL11469890 | 0.81 | KMO (0.62) | CCNT1CCNA2CDK2CDK9KMO | |
| SCHEMBL11468072 | 0.81 | KMO (0.58) | CCNT1CCNA2CDK2CDK9KMO | |
| SCHEMBL16618847 | 0.81 | KMO (0.58) | CCNT1CCNA2CDK2CDK9KMO | |
| SCHEMBL16538634 | 0.80 | HSP90AA1 (0.59) | CCNT1CCNA2CDK2CDK9KMO | |
| SCHEMBL1358158 | 0.79 | XDH (0.57) | CCNT1CCNA2CDK2CDK9KMO | |
| SCHEMBL18941868 | 0.79 | CCNT1 (1.00) | CCNT1CCNA2CDK2CDK9GSK3B | |
| SCHEMBL6256565 | 0.79 | CTSS (0.60) | KMOADORA2AADORA1CTSSXDH | |
| SCHEMBL5229810 | 0.79 | HSP90AA1 (0.62) | CCNT1CCNA2CDK2CDK9KMO |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2166860-B1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA CELLULAR THERAPIES INC (US) | 2016-09-21 | — | — | EP | disclosed |
| US-20160075683-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | LI PENG (US) | 2016-03-17 | — | — | US | disclosed |
| US-20150259329-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA CELLULAR THERAPIES INC (US) | 2015-09-17 | — | — | US | disclosed |
| US-9062023-B2 | Heterocycle compounds and uses thereof | INTRA-CELLULAR THERAPIES, INC. (US) | 2015-06-23 | — | — | US | disclosed |
| US-9056837-B2 | Heterocycle compounds and uses thereof | INTRA-CELLULAR THERAPIES, INC. (US) | 2015-06-16 | — | — | US | disclosed |
| US-20130123269-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES, INC. (US) | 2013-05-16 | — | — | US | disclosed |
| US-8367686-B2 | Heterocycle compounds and uses thereof | INTRA-CELLULAR THERAPIES, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| WO-2010118367-A2 | ANTIVIRAL PYRIMIDINES | PROGENICS PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |
| US-20100184778-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES, INC. | 2010-07-22 | — | — | US | disclosed |
| US-20100173924-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES INC. | 2010-07-08 | — | — | US | disclosed |
| EP-2166860-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | Intra-Cellular Therapies, Inc. (US) | 2010-03-31 | — | — | EP | disclosed |
| EP-2166858-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | Intra-Cellular Therapies, Inc. (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008153974-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES, INC. (US) | 2008-12-18 | — | — | WO | disclosed |
| WO-2008153959-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES, INC. (US) | 2008-12-18 | — | — | WO | disclosed |
| EP-1551842-A1 | PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004035588-A1 | PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-04-29 | — | — | 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 (5 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-20160075683-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | APP, BACE1, PYGB | CCNT1 420/4885CCNA2 496/4885CDK2 67/4885 |
| US-20150259329-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | CCNT1 698/4885CCNA2 550/4885CDK2 83/4885 |
| US-20100173924-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | CCNT1 651/4885CCNA2 523/4885CDK2 67/4885 |
| US-20100184778-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | APP, PYGB, BACE1 | CCNT1 575/4885CCNA2 514/4885CDK2 70/4885 |
| US-20130123269-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | CCNT1 698/4885CCNA2 550/4885CDK2 83/4885 |
“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.