Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 13/20 | 0.56 |
| ▸ | RAB9A | P51151 | 13/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 11/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.56 |
| ▸ | PKM | P14618 | 5/20 | 0.56 |
| ▸ | TP53 | P04637 | 4/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 9/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9763547 | 0.83 | METAP1 (0.51) | FGFR1METAP2METAP1AURKA | |
| SCHEMBL8777040 | 0.78 | METAP2 (0.51) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL543150 | 0.77 | RAB9A (0.47) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL9404099 | 0.76 | ADRA2A (0.44) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL30561047 | 0.74 | NPC1 (1.00) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL172216 | 0.74 | NPC1 (1.00) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL30634854 | 0.74 | NPC1 (1.00) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL585626 | 0.73 | NPC1 (0.60) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL3993347 | 0.73 | NPC1 (0.55) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| Water SCHEMBL9817804 | 0.72 | NPC1 (0.95) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E |
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 18 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 |
| EP-2132178-B1 | JNK INHIBITORS | MERCK SHARP & DOHME (US) | 2015-08-19 | — | — | EP | 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 |
| US-8278337-B2 | Substituted pyridines that are JNK inhibitors | MERCK SHARP & DOHME (US) | 2012-10-02 | — | — | US | disclosed |
| US-20100184778-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES, INC. | 2010-07-22 | — | — | US | disclosed |
| US-20100179141-A1 | NOVEL JNK INHIBITORS | SCHERING CORPORATION | 2010-07-15 | — | — | 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 |
| EP-2132178-A2 | NOVEL JNK INHIBITORS | SCHERING CORPORATION (US) | 2009-12-16 | — | — | 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 |
| WO-2008082487-A2 | NOVEL JNK INHIBITORS | SCHERING CORPORATION (US) | 2008-07-10 | — | — | 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 (6 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-20100179141-A1 | NOVEL JNK INHIBITORS | MAPK1, MAPKAPK5, MAPK15 | NPC1 692/4885RAB9A 2236/4885ALDH1A1 3650/4885 |
| US-20160075683-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | APP, BACE1, PYGB | NPC1 667/4885RAB9A 2114/4885ALDH1A1 2344/4885 |
| US-20150259329-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | NPC1 602/4885RAB9A 2953/4885ALDH1A1 2057/4885 |
| US-20100173924-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | NPC1 549/4885RAB9A 2913/4885ALDH1A1 2149/4885 |
| US-20100184778-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | APP, PYGB, BACE1 | NPC1 759/4885RAB9A 2099/4885ALDH1A1 2686/4885 |
| US-20130123269-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | NPC1 602/4885RAB9A 2953/4885ALDH1A1 2057/4885 |
“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.