Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MET | P08581 | 6/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 2/20 | 0.44 |
| ▸ | KIT | P10721 | 2/20 | 0.44 |
| ▸ | AXL | P30530 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | FLT3 | P36888 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12468984 | 0.91 | ALDH1A1 (0.53) | ALDH1A1GAAMETHDAC1EGFR | |
| SCHEMBL105644 | 0.86 | ALDH1A1 (0.48) | ALDH1A1GAAMETHDAC1EGFR | |
| SCHEMBL26178871 | 0.84 | ALDH1A1 (0.47) | ALDH1A1GAAMETHDAC1EGFR | |
| SCHEMBL4398555 | 0.84 | GAA (0.53) | ALDH1A1GAAMETHDAC1EGFR | |
| SCHEMBL903072 | 0.84 | MET (0.47) | ALDH1A1GAAMETHDAC1EGFR | |
| SCHEMBL23982911 | 0.84 | ALDH1A1 (0.47) | ALDH1A1GAAMETHDAC1EGFR | |
| SCHEMBL407809 | 0.84 | ALDH1A1 (0.56) | ALDH1A1GAAMETHDAC1EGFR | |
| SCHEMBL13271309 | 0.84 | ALDH1A1 (0.50) | ALDH1A1GAAMETHDAC1EGFR | |
| SCHEMBL2280125 | 0.84 | MET (0.47) | ALDH1A1GAAMETHDAC1EGFR | |
| SCHEMBL558092 | 0.84 | POLB (0.55) | METEGFRFAAHAXLKDR |
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-8003662-B2 | Heterobicyclic thiophene compounds and methods of use | ARRAY BIOPHARMA, INC. (US) | 2011-08-23 | — | — | US | disclosed |
| US-20100256356-A1 | HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE | ARRAY BIOPHARMA INC. (US) | 2010-10-07 | — | — | US | disclosed |
| US-7723330-B2 | Heterobicyclic pyrazole compounds and methods of use | ARRAY BIOPHARMA INC. (US) | 2010-05-25 | — | — | US | disclosed |
| EP-2001880-A2 | HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE | Array Biopharma, Inc. (US) | 2008-12-17 | — | — | EP | disclosed |
| EP-1989211-A2 | HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER | Array Biopharma, Inc. (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2008063202-A2 | HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER | ARRAY BIOPHARMA INC. (US) | 2008-05-29 | — | — | WO | disclosed |
| US-20070238726-A1 | Heterobicyclic pyrazole compounds and methods of use | GENENTECH, INC. | 2007-10-11 | — | — | US | disclosed |
| WO-2007103308-A2 | HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE | ARRAY BIOPHARMA INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| US-20070197537-A1 | Heterobicyclic thiophene compounds and methods of use | ARRAY BIOPHARMA, INC. | 2007-08-23 | — | — | 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 (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-20070197537-A1 | Heterobicyclic thiophene compounds and methods of use | ERBB2, LCK, SRC | ALDH1A1 1635/4885GAA 1103/4885MET 142/4885 |
| US-20100256356-A1 | HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE | ROR1, CYP11B1, CYP11B2 | ALDH1A1 1929/4885GAA 2295/4885MET 357/4885 |
| US-20070238726-A1 | Heterobicyclic pyrazole compounds and methods of use | ROR1, CYP11B1, CYP11B2 | ALDH1A1 1929/4885GAA 2295/4885MET 357/4885 |
“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.