Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2570325 | 0.84 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1LMNAGAA | |
| SCHEMBL12156542 | 0.79 | CYP2C19 (0.47) | ALDH1A1KMT2AMEN1GAAPOLB | |
| SCHEMBL1292014 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1LMNAGAA | |
| SCHEMBL26159159 | 0.77 | KMT2A (0.50) | ALDH1A1KMT2AMEN1LMNAGAA | |
| SCHEMBL25429745 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1LMNAGAA | |
| SCHEMBL344990 | 0.77 | MEN1 (0.43) | ALDH1A1KMT2AMEN1TSHRPKM | |
| SCHEMBL22578028 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1LMNAGAA | |
| SCHEMBL17158242 | 0.74 | KCNN4 (0.50) | ALDH1A1KMT2AMEN1LMNAGAA | |
| SCHEMBL7664737 | 0.73 | ALDH1A1 (0.45) | ALDH1A1KMT2AMEN1LMNAGAA | |
| SCHEMBL20955891 | 0.73 | ALDH1A1 (0.60) | ALDH1A1KMT2AMEN1LMNAGAA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8293892-B2 | Substituted tetrahydropyrazolo-pyrido-azepine compounds | ARQULE, INC. (US) | 2012-10-23 | — | — | US | disclosed |
| US-8293892-B2 | Substituted tetrahydropyrazolo-pyrido-azepine compounds | ARQULE, INC. (US) | 2012-10-23 | — | — | US | disclosed |
| US-20120015935-A1 | Substituted Tetrahydropyrazolo-Pyrido-Azepine Compounds | ARQULE, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| US-20120015935-A1 | Substituted Tetrahydropyrazolo-Pyrido-Azepine Compounds | ARQULE, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| US-8049005-B2 | Substituted tetrahydropyrazolo-pyrido-azepine compounds | ARQULE, INC. (US) | 2011-11-01 | — | — | US | disclosed |
| US-8049005-B2 | Substituted tetrahydropyrazolo-pyrido-azepine compounds | ARQULE, INC. (US) | 2011-11-01 | — | — | US | disclosed |
| WO-2010114902-A1 | SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPIN COMPOUNDS | ARQULE, INC. (US) | 2010-10-07 | — | — | WO | disclosed |
| US-20100249109-A1 | SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPINE COMPOUNDS | ARQULE, INC. (US) | 2010-09-30 | — | — | US | disclosed |
| US-20100249109-A1 | SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPINE COMPOUNDS | ARQULE, INC. (US) | 2010-09-30 | — | — | 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 (2 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-20100249109-A1 | SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPINE COMPOUNDS | MKI67, THPO, DPYD | ALDH1A1 1357/4885KMT2A 2397/4885MEN1 462/4885 |
| US-20120015935-A1 | Substituted Tetrahydropyrazolo-Pyrido-Azepine Compounds | MKI67, THPO, DPYD | ALDH1A1 1357/4885KMT2A 2397/4885MEN1 462/4885 |
“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.