Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.47 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.32 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL10003279 | 0.90 | SMO (0.53) | SMOIRAK4EPHX2 | |
| SCHEMBL10003202 | 0.88 | SMO (0.50) | SMOIRAK4EPHX2DRD2DRD3 | |
| SCHEMBL10003696 | 0.88 | SMO (0.48) | SMOIRAK4EPHX2SMYD3MGAT2 | |
| SCHEMBL10003491 | 0.88 | SMO (0.47) | SMOIRAK4EPHX2MGAT2 | |
| SCHEMBL10002926 | 0.87 | SMO (0.51) | SMOEPHX2 | |
| SCHEMBL10003350 | 0.87 | SMO (0.51) | SMOIRAK4EPHX2 | |
| SCHEMBL10003592 | 0.86 | SMO (0.59) | SMOEPHX2 | |
| SCHEMBL10004214 | 0.86 | SMO (0.47) | SMOIRAK4EPHX2DRD2DRD3 | |
| SCHEMBL10003363 | 0.86 | SMO (0.52) | SMOEPHX2 | |
| SCHEMBL10003421 | 0.86 | SMO (0.49) | SMO |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2471789-B9 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-03-25 | — | — | EP | disclosed |
| EP-2471789-B1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-09-17 | — | — | EP | disclosed |
| US-8486965-B2 | Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-16 | — | — | US | disclosed |
| US-8486965-B2 | Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-16 | — | — | US | disclosed |
| US-8486965-B2 | Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-16 | — | — | US | disclosed |
| US-20120220569-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-30 | — | — | US | disclosed |
| US-20120220569-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-30 | — | — | US | disclosed |
| US-20120220569-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-30 | — | — | US | disclosed |
| EP-2471789-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-07-04 | — | — | EP | disclosed |
| EP-2471789-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-07-04 | — | — | EP | 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 (1 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-20120220569-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | SMO, GLI1, SHH | SMO 1/4885IRAK4 2899/4885MCHR1 1670/4885 |
“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.