Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CD38 | P28907 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL690928 | 0.84 | CYP3A4 (0.36) | EGFRCYP3A4ALDH1A1 | |
| SCHEMBL690517 | 0.75 | MAPK1 (0.36) | EGFRGRM1MAPK1 | |
| SCHEMBL28049495 | 0.75 | KDR (0.40) | EGFRGRM1CYP3A4ERBB2KDR | |
| Fluoromethane SCHEMBL28294738 | 0.62 | CYP3A4 (0.54) | EGFRCYP3A4ALDH1A1 | |
| SCHEMBL17356182 | 0.62 | — | — | |
| SCHEMBL29418051 | 0.62 | — | — | |
| SCHEMBL9602 | 0.62 | — | — | |
| SCHEMBL654423 | 0.62 | MAPK1 (0.42) | MAPK1ALDH1A1 | |
| SCHEMBL14107188 | 0.61 | ALDH1A1 (0.45) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6186117 | 0.61 | CYP3A4 (0.56) | EGFRCYP3A4MAPK1ALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9393246-B2 | 4,6-disubstituted pyrimidines as kinase inhibitors | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-07-19 | — | — | US | disclosed |
| CN-101902911-B | Heteroaryl compounds and uses thereof | AVILA THERAPEUTICS, INC. (US) | 2015-12-16 | — | — | CN | disclosed |
| US-20150328223-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. | 2015-11-19 | — | — | US | disclosed |
| US-9040541-B2 | 4,6-disubstituted pyrimidines useful as kinase inhibitors | CELGENE AVILOMICS RESEARCH, INC. (US) | 2015-05-26 | — | — | 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 |
| 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 |
| CN-101902911-A | Heteroaryl compounds and uses thereof | AVILA THERAPEUTICS INC | 2010-12-01 | — | — | CN | disclosed |
| WO-2010123870-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2010-10-28 | — | — | 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-20150328223-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | EGFR 1981/4885GRM1 3894/4885CYP3A4 6/4885 |
| US-20130217688-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | EGFR 1981/4885GRM1 3894/4885CYP3A4 6/4885 |
| US-20110230494-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | EGFR 1981/4885GRM1 3894/4885CYP3A4 6/4885 |
“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.