Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | ADK | P55263 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL690859 | 0.84 | EGFR (0.37) | CYP3A4ALDH1A1EGFR | |
| SCHEMBL19654571 | 0.66 | HSD17B10 (0.67) | TSHRTDO2ALDH1A1TDP1KMT2A | |
| SCHEMBL169304 | 0.66 | HSD17B10 (0.67) | TSHRTDO2ALDH1A1TDP1KMT2A | |
| SCHEMBL29535654 | 0.66 | HSD17B10 (0.67) | TSHRTDO2ALDH1A1TDP1KMT2A | |
| SCHEMBL2205173 | 0.65 | KMT2A (0.55) | TDO2ALDH1A1EGFRKMT2AMEN1 | |
| Ammonia Solution, Strong SCHEMBL28217171 | 0.64 | HSD17B10 (0.64) | TSHRTDO2ALDH1A1TDP1KMT2A | |
| SCHEMBL30285840 | 0.63 | TSHR (0.40) | TSHRALDH1A1EGFRKMT2AMEN1 | |
| SCHEMBL29005628 | 0.63 | TSHR (0.40) | TSHRALDH1A1EGFRKMT2AMEN1 | |
| SCHEMBL11344530 | 0.63 | ALDH1A1 (0.40) | TDO2ALDH1A1KMT2AMEN1HIF1A | |
| SCHEMBL28949886 | 0.62 | ALDH1A1 (0.54) | CYP3A4TSHRALDH1A1TDP1EGFR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160311780-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RES INC (US) | 2016-10-27 | — | — | US | disclosed |
| US-20160279127-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. | 2016-09-29 | — | — | US | disclosed |
| US-9040541-B2 | 4,6-disubstituted pyrimidines useful as kinase inhibitors | CELGENE AVILOMICS RESEARCH, INC. (US) | 2015-05-26 | — | — | US | disclosed |
| US-8748606-B2 | 4,6-diaminopyrimidines useful as kinase inhibitors | CELGENE AVILOMICS RESEARCH, INC. (US) | 2014-06-10 | — | — | US | disclosed |
| US-20130217688-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2013-08-22 | — | — | US | disclosed |
| US-8445498-B2 | 4,6-disubstituted pyrimidines useful as kinase inhibitors | CELGENE AVILOMICS RESEARCH, INC. (US) | 2013-05-21 | — | — | US | disclosed |
| US-20130065892-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2013-03-14 | — | — | US | disclosed |
| EP-2421538-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | Avila Therapeutics, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| US-20110230494-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2011-09-22 | — | — | US | disclosed |
| US-7989465-B2 | 4,6-disubstituted pyrimidines useful as kinase inhibitors | AVILA THERAPEUTICS, INC. (US) | 2011-08-02 | — | — | US | disclosed |
| WO-2010123870-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2010-10-28 | — | — | WO | disclosed |
| EP-2214486-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | Avila Therapeutics, Inc. (US) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009051822-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2009-04-23 | — | — | 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 (5 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-20130065892-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | CYP3A4 6/4885TSHR 2837/4885TDO2 1283/4885 |
| US-20160311780-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | CYP3A4 6/4885TSHR 2837/4885TDO2 1283/4885 |
| US-20160279127-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | CYP3A4 6/4885TSHR 2837/4885TDO2 1283/4885 |
| US-20130217688-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | CYP3A4 6/4885TSHR 2837/4885TDO2 1283/4885 |
| US-20110230494-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | CYP3A4 6/4885TSHR 2837/4885TDO2 1283/4885 |
“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.