Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | MERTK | Q12866 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.35 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1611664 | 1.00 | CHRM5 (0.40) | CHRM5ADRA2CALDH1A1THRBKEAP1 | |
| Hydrochloric Acid SCHEMBL4126375 | 0.98 | CHRM5 (0.39) | CHRM5ADRA2CALDH1A1THRBKEAP1 | |
| Hydrochloric Acid SCHEMBL4126371 | 0.98 | CHRM5 (0.39) | CHRM5ADRA2CALDH1A1THRBKEAP1 | |
| SCHEMBL7562139 | 0.89 | CHRM5 (0.48) | CHRM5ADRA2CALDH1A1THRBKEAP1 | |
| SCHEMBL14535216 | 0.89 | CHRM5 (0.48) | CHRM5ADRA2CALDH1A1THRBKEAP1 | |
| SCHEMBL962458 | 0.88 | HRH3 (0.38) | CHRM5ADRA2CALDH1A1THRBKEAP1 | |
| SCHEMBL965292 | 0.88 | HRH3 (0.38) | CHRM5ADRA2CALDH1A1THRBKEAP1 | |
| SCHEMBL12915042 | 0.88 | HRH3 (0.38) | CHRM5ADRA2CALDH1A1THRBKEAP1 | |
| SCHEMBL8235039 | 0.83 | GBA1 (0.41) | CHRM5ADRA2CALDH1A1THRBSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28386967 | 0.82 | GBA1 (0.40) | CHRM5ADRA2CALDH1A1THRBMEN1 |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2668162-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | Novartis AG (CH) | 2013-12-04 | — | — | EP | disclosed |
| US-20130303507-A1 | SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2013-11-14 | — | — | US | disclosed |
| US-20130303507-A1 | SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2013-11-14 | — | — | US | disclosed |
| CN-103339110-A | Substituted hetero-biaryl compounds as CDK9 inhibitors and uses thereof | NOVARTIS AG | 2013-10-02 | — | — | CN | disclosed |
| US-20120270859-A1 | INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-25 | — | — | US | disclosed |
| US-20120270859-A1 | INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-10-25 | — | — | US | disclosed |
| WO-2012101066-A1 | PYRIDINE BIARYL AMINE COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101065-A2 | PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101062-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101062-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2009071519-A9 | OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2009-12-03 | — | — | WO | disclosed |
| US-20090163465-A1 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-25 | — | — | US | disclosed |
| US-20090149438-A1 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-11 | — | — | US | disclosed |
| WO-2009071519-A1 | OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2009-06-11 | — | — | WO | disclosed |
| WO-2009071519-A1 | OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2009-06-11 | — | — | WO | disclosed |
| US-20090149438-A1 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-11 | — | — | US | disclosed |
| US-7521457-B2 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-21 | — | — | US | disclosed |
| US-7521457-B2 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-21 | — | — | US | disclosed |
| US-7241769-B2 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-07-10 | — | — | US | disclosed |
| US-7241769-B2 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-07-10 | — | — | US | 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-20120270859-A1 | INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER | IDO1, INMT, TPH1 | CHRM5 396/4885ADRA2C 249/4885ALDH1A1 243/4885 |
| US-20090163465-A1 | Pyrimidines as PLK inhibitors | PLK2, PLK3, TYMP | CHRM5 4149/4885ADRA2C 2177/4885ALDH1A1 971/4885 |
| US-20090149438-A1 | Pyrimidines as PLK inhibitors | PLK2, PLK3, TYMP | CHRM5 4149/4885ADRA2C 2177/4885ALDH1A1 971/4885 |
| US-20130303507-A1 | SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES | CDK9, CDK19, CDK3 | CHRM5 4329/4885ADRA2C 2211/4885ALDH1A1 2220/4885 |
“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.