Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16215497 | 0.83 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1STING1KDM4EL3MBTL1 | |
| SCHEMBL29873554 | 0.83 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1STING1KDM4EL3MBTL1 | |
| SCHEMBL8278047 | 0.82 | KMT2A (0.61) | SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL10322699 | 0.80 | L3MBTL1 (0.53) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3719540 | 0.80 | HDAC6 (0.57) | SMN1; SMN2ALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL24418337 | 0.80 | CYP3A4 (0.49) | CYP3A4TDP1CA12CA1CA2 | |
| SCHEMBL25937836 | 0.80 | CYP3A4 (0.49) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6957779 | 0.80 | STK17B (0.49) | CYP3A4SMN1; SMN2TDP1CA12CA1 | |
| SCHEMBL29263638 | 0.79 | TDP1 (0.51) | CYP3A4SMN1; SMN2TDP1CA12CA1 | |
| SCHEMBL38663029 | 0.78 | GRM4 (0.45) | SMN1; SMN2ALDH1A1STING1KDM4EL3MBTL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11396501-B2 | Heteroaryl compounds as CXCR4 inhibitors, composition and method using the same | CGENETECH (SUZHOU, CHINA) CO., LTD. (CN) | 2022-07-26 | — | — | US | disclosed |
| US-20200239439-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2020-07-30 | — | — | US | disclosed |
| US-20200239439-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2020-07-30 | — | — | US | disclosed |
| WO-2019060860-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2019-03-28 | — | — | WO | disclosed |
| US-20120028990-A1 | 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE | MSD K.K | 2012-02-02 | — | — | US | disclosed |
| US-20120028990-A1 | 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE | MSD K.K | 2012-02-02 | — | — | US | disclosed |
| WO-2010119984-A1 | 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-21 | — | — | 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 (3 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-11396501-B2 | Heteroaryl compounds as CXCR4 inhibitors, composition and method using the same | CXCR4, CXCL12, CXCR1 | CYP3A4 2071/4885SMN1; SMN2 2758/4885ALDH1A1 1506/4885 |
| US-20120028990-A1 | 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE | IDO1, TPH1, AHR | CYP3A4 503/4885SMN1; SMN2 3554/4885ALDH1A1 2066/4885 |
| US-20200239439-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | CXCR4, CXCL12, CXCR1 | CYP3A4 2071/4885SMN1; SMN2 2758/4885ALDH1A1 1506/4885 |
“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.