Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 4/20 | 0.44 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CCR4 | P51679 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | HTR2C | P28335 | 3/20 | 0.44 |
| ▸ | HTR2B | P41595 | 3/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2846424 | 0.96 | KCNH2 (0.44) | KCNH2CCR4SIGMAR1HTR2ADRD2 | |
| SCHEMBL2839017 | 0.95 | KCNH2 (0.48) | KCNH2CCR4SIGMAR1HTR2ADRD2 | |
| SCHEMBL2850099 | 0.94 | KCNH2 (0.47) | KCNH2CCR4SIGMAR1HTR2ADRD2 | |
| SCHEMBL2850149 | 0.94 | KCNH2 (0.52) | KCNH2CCR4SIGMAR1HTR2ADRD2 | |
| Hydrochloric Acid SCHEMBL2841731 | 0.93 | KCNH2 (0.51) | KCNH2SIGMAR1HTR2ADRD2HTR2C | |
| Bromide SCHEMBL2840704 | 0.93 | KCNH2 (0.51) | KCNH2CCR4SIGMAR1HTR2ADRD2 | |
| Fumaric Acid SCHEMBL2845369 | 0.89 | SIGMAR1 (0.55) | KCNH2SIGMAR1HTR2ADRD2HTR2C | |
| Maleic Acid SCHEMBL2845354 | 0.89 | SIGMAR1 (0.55) | KCNH2SIGMAR1HTR2ADRD2HTR2C | |
| Nitric Acid SCHEMBL2849952 | 0.89 | KCNH2 (0.47) | KCNH2CCR4SIGMAR1HTR2ADRD2 | |
| SCHEMBL13173235 | 0.88 | KCNH2 (0.48) | KCNH2SIGMAR1HTR2ADRD2HTR2C |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2679586-B1 | Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same | DAIICHI SANKYO CO LTD (JP) | 2016-02-10 | — | — | EP | disclosed |
| US-9156817-B2 | Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2015-10-13 | — | — | US | disclosed |
| US-9139559-B2 | Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2015-09-22 | — | — | US | disclosed |
| US-20140336209-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | DAIICHI SANKYO CO LTD (JP) | 2014-11-13 | — | — | US | disclosed |
| US-20140221409-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2014-08-07 | — | — | US | disclosed |
| EP-2151439-B1 | NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME | DAIICHI SANKYO CO LTD (JP) | 2014-02-26 | — | — | EP | disclosed |
| EP-2679586-A1 | Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same | Daiichi Sankyo Company, Limited (JP) | 2014-01-01 | — | — | EP | disclosed |
| US-8592435-B2 | Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2013-11-26 | — | — | US | disclosed |
| US-20120258978-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-10-11 | — | — | US | disclosed |
| US-20100130739-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | ASUBIO PHARMA CO., LTD. (JP) | 2010-05-27 | — | — | US | disclosed |
| EP-2151439-A1 | NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME | Asubio Pharma Co., Ltd. (JP) | 2010-02-10 | — | — | 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-20120258978-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | NGF, VEGFA, BDNF | HTR2A 2496/4885DRD2 2001/4885KCNH2 1878/4885 |
| US-20140221409-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | NGF, VEGFA, NRP1 | HTR2A 2633/4885DRD2 1753/4885KCNH2 843/4885 |
| US-20140336209-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | NGF, VEGFA, NRP1 | HTR2A 2633/4885DRD2 1753/4885KCNH2 843/4885 |
| US-20100130739-A1 | NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME | NGF, VEGFA, NRP1 | HTR2A 2633/4885DRD2 1753/4885KCNH2 843/4885 |
“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.