Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.59 |
| ▸ | CA2 | P00918 | 4/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA3 | P07451 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | CA5A | P35218 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.54 |
| ▸ | MMP8 | P22894 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL667271 | 0.95 | CA1 (0.65) | CA1CA2CA12CA3CA4 | |
| SCHEMBL7526085 | 0.84 | CA2 (0.63) | CA1CA2CA12CA3CA4 | |
| Diethylamine SCHEMBL4005834 | 0.83 | KMT2A (0.71) | CA1CA2CA5AALDH1A1CYP19A1 | |
| SCHEMBL3685056 | 0.81 | MEN1 (0.62) | CA1CA2CA12CA3CA4 | |
| SCHEMBL11511836 | 0.80 | ALDH1A1 (0.83) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL21416015 | 0.79 | MEN1 (0.66) | CA1CA2CA12CA3CA4 | |
| SCHEMBL4091384 | 0.79 | ALDH1A1 (0.64) | CA1CA2CA12CA3CA4 | |
| SCHEMBL28649866 | 0.78 | CYP19A1 (0.56) | CA1CA2CA12CA3CA4 | |
| SCHEMBL28928577 | 0.78 | CA2 (0.61) | CA1CA2CA12CA3CA4 | |
| SCHEMBL922441 | 0.78 | KMT2A (0.77) | CA1CA2CA5AALDH1A1CYP19A1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11827628-B2 | Compositions and methods for inhibition of the JAK pathway | RIGEL PHARMACEUTICALS, INC. (US) | 2023-11-28 | — | — | US | disclosed |
| US-20220098181-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2022-03-31 | — | — | US | disclosed |
| US-11198689-B2 | Compositions and methods for inhibition of the JAK pathway | RIGEL PHARMACEUTICALS, INC. (US) | 2021-12-14 | — | — | US | disclosed |
| US-20200181130-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2020-06-11 | — | — | US | disclosed |
| US-10421752-B2 | Compositions and methods for inhibition of the JAK pathway | RIGEL PHARMACEUTICALS, INC. (US) | 2019-09-24 | — | — | US | disclosed |
| US-20170298054-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2017-10-19 | — | — | US | disclosed |
| US-9732073-B2 | Compositions and methods for inhibition of the JAK pathway | RIGEL PHARMACEUTICALS, INC. (US) | 2017-08-15 | — | — | US | disclosed |
| US-20160102084-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2016-04-14 | — | — | US | disclosed |
| US-9248190-B2 | Compositions and methods for inhibition of the JAK pathway | RIGEL PHARMACEUTICALS, INC. (US) | 2016-02-02 | — | — | US | disclosed |
| US-20140314785-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2014-10-23 | — | — | US | disclosed |
| US-8815848-B2 | Compositions and methods for inhibition of the JAK pathway | RIGEL PHARMACEUTICALS, INC. (US) | 2014-08-26 | — | — | US | disclosed |
| US-20130142807-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2013-06-06 | — | — | US | disclosed |
| US-8415365-B2 | Prevent transplant rejection; autoimmune diseases | RIGEL PHARMACEUTICALS, INC. (US) | 2013-04-09 | — | — | US | disclosed |
| US-8399472-B2 | Compositions and methods for inhibition of the JAK pathway | RIGEL PHARMACEUTICALS, INC. (US) | 2013-03-19 | — | — | US | disclosed |
| US-7491732-B2 | Compositions and methods for inhibition of the JAK pathway | RIGEL PHARMACEUTICALS, INC. (US) | 2009-02-17 | — | — | US | disclosed |
| US-20090041786-A1 | e.g. 5-Fluoro-N4-(3-hydroxyphenyl)-N2-[4-(N-methyl)aminosulfonyl-3-methoxyphenyl]-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease | RIGEL PHARMACEUTICALS, INC. | 2009-02-12 | — | — | US | disclosed |
| US-20080306099-A1 | Prevent transplant rejection; autoimmune diseases | RIGEL PHARMACEUTICALS, INC. | 2008-12-11 | — | — | US | disclosed |
| EP-1904457-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | Rigel Pharmaceuticals, Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| US-20060293311-A1 | e.g. 1 N2-(4-Aminosulphonylphenyl)-N4-(3-cyanomethoxy-4,5-dimethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease | RIGEL PHARMACEUTICALS, INC. | 2006-12-28 | — | — | US | disclosed |
| WO-2006133426-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2006-12-14 | — | — | 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 (12 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-20090041786-A1 | e.g. 5-Fluoro-N4-(3-hydroxyphenyl)-N2-[4-(N-methyl)aminosulfonyl-3-methoxyphenyl]-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease | JAK3, JAK1, JAK2 | CA1 4650/4885CA2 4756/4885CA12 4850/4885 |
| US-11198689-B2 | Compositions and methods for inhibition of the JAK pathway | JAK3, JAK2, JAK1 | CA1 4788/4885CA2 4491/4885CA12 4598/4885 |
| US-11827628-B2 | Compositions and methods for inhibition of the JAK pathway | JAK3, JAK2, JAK1 | CA1 4788/4885CA2 4491/4885CA12 4598/4885 |
| US-20220098181-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | JAK3, JAK2, JAK1 | CA1 4788/4885CA2 4491/4885CA12 4598/4885 |
| US-20170298054-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | JAK3, JAK2, JAK1 | CA1 4788/4885CA2 4491/4885CA12 4598/4885 |
| US-20200181130-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | JAK3, JAK2, JAK1 | CA1 4788/4885CA2 4491/4885CA12 4598/4885 |
| US-20080306099-A1 | Prevent transplant rejection; autoimmune diseases | JAK3, JAK1, JAK2 | CA1 4749/4885CA2 4706/4885CA12 4553/4885 |
| US-20060293311-A1 | e.g. 1 N2-(4-Aminosulphonylphenyl)-N4-(3-cyanomethoxy-4,5-dimethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease | JAK3, JAK1, JAK2 | CA1 3698/4885CA2 4238/4885CA12 4612/4885 |
| US-20140314785-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | JAK3, JAK2, JAK1 | CA1 4788/4885CA2 4491/4885CA12 4598/4885 |
| US-20130142807-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | JAK3, JAK2, JAK1 | CA1 4788/4885CA2 4491/4885CA12 4598/4885 |
| US-20160102084-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | JAK3, JAK2, JAK1 | CA1 4788/4885CA2 4491/4885CA12 4598/4885 |
| US-10421752-B2 | Compositions and methods for inhibition of the JAK pathway | JAK3, JAK2, JAK1 | CA1 4788/4885CA2 4491/4885CA12 4598/4885 |
“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.