Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 8/20 | 0.74 |
| ▸ | ABL1 | P00519 | 10/20 | 0.61 |
| ▸ | BCR | P11274 | 9/20 | 0.61 |
| ▸ | KIT | P10721 | 8/20 | 0.61 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.61 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.61 |
| ▸ | PLK4 | O00444 | 1/20 | 0.61 |
| ▸ | DDX3X | O00571 | 1/20 | 0.61 |
| ▸ | GAK | O14976 | 1/20 | 0.61 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.61 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | EGFR | P00533 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | ALB | P02768 | 1/20 | 0.61 |
| ▸ | RAF1 | P04049 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL2988939 | 0.90 | ABCB1 (0.63) | ABCB1ABL1BCRKITPDGFRB | |
| SCHEMBL2994959 | 0.87 | ABL1 (0.79) | ABCB1ABL1BCRKITPDGFRB | |
| SCHEMBL2988941 | 0.86 | ABCB1 (0.56) | ABCB1ABL1BCRMAPK14ABCG2 | |
| SCHEMBL13241247 | 0.86 | ABCB1 (0.56) | ABCB1ABL1BCRKITPDGFRB | |
| SCHEMBL13437239 | 0.82 | ABL1 (0.87) | ABCB1ABL1BCRKITPDGFRB | |
| SCHEMBL2997739 | 0.81 | ABCB1 (0.53) | ABCB1ABL1BCRKITPDGFRB | |
| SCHEMBL1928390 | 0.80 | ABL1 (0.91) | ABCB1ABL1BCRKITPDGFRB | |
| SCHEMBL2992310 | 0.80 | ABL1 (0.65) | ABCB1ABL1BCR | |
| SCHEMBL5187795 | 0.80 | PDGFRA (0.73) | ABCB1ABL1BCRKITPDGFRB | |
| SCHEMBL4394539 | 0.80 | ABL1 (0.88) | ABCB1ABL1BCRKITPDGFRB |
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 14 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-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-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-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-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 |
| US-20100173924-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES INC. | 2010-07-08 | — | — | 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 |
| 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 19/4885ABL1 481/4885BCR 796/4885 |
| US-20100173924-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | ABCB1 26/4885ABL1 456/4885BCR 687/4885 |
| US-20130123269-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | ABCB1 19/4885ABL1 481/4885BCR 796/4885 |
“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.