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 | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 4/20 | 0.41 |
| ▸ | PDGFRB known ✓ | P09619 | 3/20 | 0.41 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.41 |
| ▸ | ROCK1 known ✓ | Q13464 | 2/20 | 0.41 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 9/20 | 0.55 |
| ▸ | GSK3A | P49840 | 7/20 | 0.55 |
| ▸ | CDK7 | P50613 | 5/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.55 |
| ▸ | IGF1R | P08069 | 5/20 | 0.55 |
| ▸ | LCK | P06239 | 4/20 | 0.55 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.55 |
| ▸ | JAK2 | O60674 | 4/20 | 0.55 |
| ▸ | BTK | Q06187 | 1/20 | 0.55 |
| ▸ | SYK | P43405 | 3/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 7/20 | 0.41 |
| ▸ | CDK9 | P50750 | 5/20 | 0.41 |
| ▸ | AURKA | O14965 | 4/20 | 0.41 |
| ▸ | RET | P07949 | 4/20 | 0.41 |
| ▸ | FLT3 | P36888 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1777871 | 0.85 | GSK3B (0.62) | GSK3BGSK3ACDK7AURKBIGF1R | |
| SCHEMBL5069862 | 0.83 | SYK (0.43) | GSK3BGSK3ACDK7AURKBIGF1R | |
| SCHEMBL1777186 | 0.82 | GSK3B (0.65) | GSK3BGSK3ACDK7AURKBIGF1R | |
| SCHEMBL1777444 | 0.82 | SYK (0.73) | GSK3BGSK3ACDK7AURKBIGF1R | |
| SCHEMBL3104144 | 0.80 | GSK3B (0.69) | GSK3BGSK3ACDK7AURKBIGF1R | |
| SCHEMBL1777132 | 0.80 | GSK3B (0.63) | GSK3BGSK3ACDK7AURKBIGF1R | |
| SCHEMBL1777104 | 0.79 | SYK (0.77) | GSK3BGSK3ACDK7AURKBIGF1R | |
| SCHEMBL1778056 | 0.78 | GSK3B (0.58) | GSK3BGSK3ACDK7AURKBIGF1R | |
| SCHEMBL1778665 | 0.78 | GSK3B (0.58) | GSK3BGSK3ACDK7AURKBIGF1R | |
| Dimethylformamide SCHEMBL27594724 | 0.78 | GSK3B (0.58) | GSK3BGSK3ACDK7AURKBIGF1R |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7943616-B2 | Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders | AVENTIS PHARMACEUTICALS INC. (US) | 2011-05-17 | — | — | US | disclosed |
| EP-2233486-A1 | Azaindoles | Aventis Pharma Limited (GB) | 2010-09-29 | — | — | EP | disclosed |
| US-20050267304-A1 | Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders | AVENTIS PHARMACEUTICALS INC. (US) | 2005-12-01 | — | — | US | disclosed |
| US-6897207-B2 | Azaindoles | AVENTIS PHARMACEUTICALS INC. (US) | 2005-05-24 | — | — | US | disclosed |
| US-20040053931-A1 | Azaindoles | AVENTIS PHARMACEUTICALS INC. | 2004-03-18 | — | — | 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-20040053931-A1 | Azaindoles | CDKN1A, CDK7, CDK2 | ABL1 14/4885PDGFRB 2406/4885KDR 2003/4885 |
| US-20050267304-A1 | Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders | MAP3K20, MAP3K12, MAP3K19 | ABL1 404/4885PDGFRB 828/4885KDR 1344/4885 |
“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.