Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.43 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | PRKCG | P05129 | 1/20 | 0.37 |
| ▸ | PRKCB | P05771 | 1/20 | 0.37 |
| ▸ | PRKCA | P17252 | 1/20 | 0.37 |
| ▸ | PRKCH | P24723 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.37 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.37 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.37 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1060569 | 0.96 | ACKR3 (0.42) | ACKR3BTKPRKD3PRKCGPRKCB | |
| Trifluoroacetic Acid SCHEMBL1063917 | 0.90 | CACNA1B (0.43) | CACNA1BAPBA1ACKR3BTK | |
| Trifluoroacetic Acid SCHEMBL1062912 | 0.90 | CACNA1B (0.47) | CACNA1BAPBA1ACKR3TLR9TLR8 | |
| Trifluoroacetic Acid SCHEMBL1061462 | 0.88 | KDM4E (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL1061951 | 0.87 | KDM4E (0.46) | — | |
| SCHEMBL1061696 | 0.87 | SMO (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL1062062 | 0.86 | CACNA1B (0.42) | CACNA1BAPBA1ACKR3BTKPRKD3 | |
| SCHEMBL10314303 | 0.85 | ACKR3 (0.42) | ACKR3PRKD3PRKCGPRKCBPRKCA | |
| SCHEMBL1063372 | 0.84 | KMT2A (0.36) | — | |
| SCHEMBL10314279 | 0.84 | RAD52 (0.47) | ACKR3TLR9TLR8TLR7BTK |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2247588-B1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2016-04-13 | — | — | EP | disclosed |
| US-8399449-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-03-19 | — | — | US | disclosed |
| US-8217176-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-01-06 | — | — | US | disclosed |
| US-20090227561-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-10 | — | — | US | 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 (2 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-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | SMO, NR1H2, NR1H4 | CACNA1B 2436/4885APBA1 4073/4885ACKR3 1388/4885 |
| US-20090227561-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | SMO, NR1H2, NR1H4 | CACNA1B 2833/4885APBA1 3872/4885ACKR3 1505/4885 |
“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.