Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 3/20 | 0.37 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.35 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3924518 | 1.00 | ADORA1 (0.44) | ADORA1ADORA2AADORA3ADORA2BTSHR | |
| SCHEMBL5189246 | 0.95 | ADORA1 (0.47) | ADORA1ADORA2AADORA3ADORA2BTSHR | |
| SCHEMBL2825572 | 0.95 | ADORA1 (0.47) | ADORA1ADORA2AADORA3ADORA2BTSHR | |
| SCHEMBL4077312 | 0.95 | ADORA1 (0.47) | ADORA1ADORA2AADORA3ADORA2BTSHR | |
| SCHEMBL8355465 | 0.95 | ADORA1 (0.47) | ADORA1ADORA2AADORA3ADORA2BTSHR | |
| SCHEMBL4170092 | 0.88 | ADORA1 (0.40) | ADORA1ADORA2AADORA3ADORA2BTSHR | |
| SCHEMBL3924523 | 0.88 | ADORA1 (0.40) | ADORA1ADORA2AADORA3ADORA2BTSHR | |
| SCHEMBL7752203 | 0.87 | ADORA1 (0.47) | ADORA1ADORA2AADORA3ADORA2BTSHR | |
| SCHEMBL8355484 | 0.84 | ADORA1 (0.40) | ADORA1ADORA2AADORA3ADORA2BTSHR | |
| SCHEMBL13873935 | 0.79 | ADORA1 (0.49) | ADORA1ADORA2AADORA3ADORA2BTSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090192177-A1 | 2-ARYL pyrrologpyrimidines for A1 and A3 receptors | OSI PHARMACEUTICALS, INC. | 2009-07-30 | — | — | 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 (1 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-20090192177-A1 | 2-ARYL pyrrologpyrimidines for A1 and A3 receptors | ADORA3, ADORA1, ADORA2A | PIK3CA 866/4885ROCK2 3742/4885KIT 3591/4885 |
“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.