Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.58 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | CHUK | O15111 | 1/20 | 0.43 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | PAK4 | O96013 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | RET | P07949 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | LTK | P29376 | 1/20 | 0.43 |
| ▸ | GRK5 | P34947 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27546357 | 0.83 | GRM4 (0.46) | GRM4CDK8LRRK2AURKBL3MBTL1 | |
| Hydrochloric Acid SCHEMBL27470087 | 0.81 | GRM4 (0.45) | GRM4CDK8LRRK2AURKBCYP1A2 | |
| SCHEMBL11606622 | 0.81 | CHEK1 (0.46) | GRM4CHEK1PDCD1CD274IKBKB | |
| SCHEMBL6516685 | 0.81 | CHEK1 (0.46) | GRM4CHEK1IKBKBCHUKDAPK3 | |
| Iodide SCHEMBL31070281 | 0.81 | GRM4 (0.45) | GRM4CDK8LRRK2AURKBL3MBTL1 | |
| SCHEMBL15865503 | 0.81 | NOS3 (0.54) | GRM4CHEK1PDCD1CD274IKBKB | |
| Hydrochloric Acid SCHEMBL29628896 | 0.81 | GRM4 (0.45) | GRM4CDK8LRRK2AURKBCYP1A2 | |
| Iodide SCHEMBL9618573 | 0.81 | GRM4 (0.45) | GRM4CDK8LRRK2AURKBL3MBTL1 | |
| SCHEMBL10199363 | 0.80 | CYP2A6 (0.50) | GRM4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12765339 | 0.79 | CHEK1 (0.45) | GRM4CHEK1PDCD1CD274IKBKB |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108358834-A | A kind of polysubstituted pyridine derivative and preparation method thereof | 兰州大学 | 2018-08-03 | — | — | CN | disclosed |
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-08-27 | — | — | US | disclosed |
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-08-27 | — | — | US | disclosed |
| US-9079907-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| US-9079907-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| EP-2742936-A1 | Fused heterocyclic compound and use thereof | Takeda Pharmaceutical Company Limited (JP) | 2014-06-18 | — | — | EP | disclosed |
| EP-2727585-A1 | In-vivo screening method | Takeda Pharmaceutical Company Limited (JP) | 2014-05-07 | — | — | EP | disclosed |
| US-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SHIRAI JUNYA (JP) | 2012-06-28 | — | — | US | disclosed |
| US-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SHIRAI JUNYA (JP) | 2012-06-28 | — | — | US | disclosed |
| US-8158617-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-17 | — | — | US | disclosed |
| US-8158617-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-17 | — | — | US | disclosed |
| US-20100144741-A1 | ETHANOLAMINE DERIVATIVES USEFUL AS BACE INHIBITORS | FREDERIKSEN MATHIAS | 2010-06-10 | — | — | US | disclosed |
| US-20100144741-A1 | ETHANOLAMINE DERIVATIVES USEFUL AS BACE INHIBITORS | FREDERIKSEN MATHIAS | 2010-06-10 | — | — | US | disclosed |
| US-20090131402-A1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-05-21 | — | — | US | disclosed |
| US-20090131402-A1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-05-21 | — | — | US | disclosed |
| EP-2018863-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-01-28 | — | — | 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 (4 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-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | HTR2C, HTR3C, HTR3B | GRM4 88/4885CHEK1 3905/4885PDCD1 4858/4885 |
| US-20090131402-A1 | Fused heterocyclic compound and use thereof | HTR2C, HTR3C, HTR3B | GRM4 88/4885CHEK1 3905/4885PDCD1 4858/4885 |
| US-20100144741-A1 | ETHANOLAMINE DERIVATIVES USEFUL AS BACE INHIBITORS | BACE1, BACE2, APP | GRM4 1591/4885CHEK1 3534/4885PDCD1 1390/4885 |
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | HTR2C, HTR3C, HTR3B | GRM4 88/4885CHEK1 3905/4885PDCD1 4858/4885 |
“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.