Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 7/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.49 |
| ▸ | ABL1 | P00519 | 6/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.43 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2988941 | 0.88 | ABCB1 (0.56) | ABCB1MAPK14ABL1ABCG2BCR | |
| SCHEMBL13241247 | 0.84 | ABCB1 (0.56) | ABCB1MAPK14ABL1ABCG2BCR | |
| SCHEMBL2993589 | 0.79 | ABCB1 (0.74) | ABCB1MAPK14ABL1ABCG2BCR | |
| SCHEMBL2984102 | 0.76 | RAB9A (0.58) | ABCB1ABCG2 | |
| SCHEMBL2988939 | 0.74 | ABCB1 (0.63) | ABCB1MAPK14ABL1ABCG2BCR | |
| SCHEMBL14949952 | 0.73 | GPR52 (0.52) | ABCB1ABL1ABCG2GPR52BCR | |
| SCHEMBL13212024 | 0.73 | HRH3 (0.63) | ABCB1ABCG2 | |
| Hydrochloric Acid SCHEMBL2907800 | 0.69 | KDM4E (0.58) | — | |
| SCHEMBL13683756 | 0.69 | NPC1 (0.62) | ABCB1ABCG2 | |
| Hydrochloric Acid SCHEMBL2907065 | 0.69 | KDM4E (0.57) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150259329-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA CELLULAR THERAPIES INC (US) | 2015-09-17 | — | — | 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-20100173924-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES INC. | 2010-07-08 | — | — | US | disclosed |
| EP-2166858-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | Intra-Cellular Therapies, Inc. (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008153959-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES, INC. (US) | 2008-12-18 | — | — | 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 (3 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-20150259329-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | ABCB1 19/4885MAPK14 116/4885ABL1 481/4885 |
| US-20100173924-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | ABCB1 26/4885MAPK14 95/4885ABL1 456/4885 |
| US-20130123269-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | ABCB1 19/4885MAPK14 116/4885ABL1 481/4885 |
“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.