Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | COMT | P21964 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | NR0B1 | P51843 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10072897 | 0.99 | COMT (0.49) | KDM4ECOMTSMN1; SMN2CYP3A4TSHR | |
| SCHEMBL10072929 | 0.86 | KDM4E (0.48) | KDM4ECYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL10073468 | 0.83 | KMT2A (0.48) | KDM4ESMN1; SMN2TSHRKMT2AALDH1A1 | |
| SCHEMBL10072903 | 0.81 | ROCK2 (0.41) | CYP3A4TSHRNFKB1THPOHIF1A | |
| SCHEMBL10072891 | 0.80 | DRD2 (0.42) | TSHRMAPT | |
| SCHEMBL10072932 | 0.80 | NAMPT (0.47) | KDM4ESMN1; SMN2TSHRMEN1KMT2A | |
| SCHEMBL10072940 | 0.80 | COMT (0.39) | COMTNAMPT | |
| SCHEMBL10072895 | 0.80 | POLB (0.47) | OPRK1OPRM1ALDH1A1LMNANAMPT | |
| SCHEMBL10072922 | 0.79 | ALOX15 (0.54) | KDM4ESMN1; SMN2KMT2AALDH1A1LMNA | |
| SCHEMBL12243395 | 0.78 | GRM4 (0.39) | COMTCYP3A4TSHRNFKB1THPO |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445681-B2 | Azaindazoles useful as inhibitors of kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-21 | — | — | US | disclosed |
| EP-2514751-A1 | Azaindazoles useful as inhibitor of kinases | Vertex Pharmaceuticals, Inc. (US) | 2012-10-24 | — | — | EP | disclosed |
| US-20120165367-A1 | AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES | VERTEX PHARMACEUTICALS INCORPORATED | 2012-06-28 | — | — | US | disclosed |
| US-8017781-B2 | Azaindazoles useful as inhibitors of kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-13 | — | — | US | disclosed |
| US-8017781-B2 | Azaindazoles useful as inhibitors of kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-13 | — | — | US | disclosed |
| US-20070179177-A1 | Azaindazoles useful as inhibitors of kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-02 | — | — | US | disclosed |
| US-20070179177-A1 | Azaindazoles useful as inhibitors of kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-02 | — | — | US | disclosed |
| WO-2007059219-A1 | AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-24 | — | — | 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 (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-20070179177-A1 | Azaindazoles useful as inhibitors of kinases | PRKDC, MAP3K20, PRKACA | KDM4E 640/4885COMT 3171/4885SMN1; SMN2 2765/4885 |
| US-20120165367-A1 | AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES | PRKDC, MAP3K20, PRKACA | KDM4E 640/4885COMT 3171/4885SMN1; SMN2 2765/4885 |
“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.