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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.48 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.48 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.47 |
| ▸ | KIT known ✓ | P10721 | 2/20 | 0.45 |
| ▸ | RET | P07949 | 8/20 | 0.49 |
| ▸ | CSF1R | P07333 | 2/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | CCDC6 | Q16204 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | ALOX5AP | P20292 | 6/20 | 0.44 |
| ▸ | FEN1 | P39748 | 6/20 | 0.44 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1255932 | 0.96 | RET (0.52) | RETCSF1RNTRK1KDRKCNH2 | |
| SCHEMBL14674070 | 0.88 | RET (0.51) | RETCSF1RNTRK1KDRKCNH2 | |
| SCHEMBL1254991 | 0.85 | WNT3A (0.51) | RETCSF1RNTRK1KDRKCNH2 | |
| SCHEMBL1258516 | 0.85 | KIT (0.45) | RETCSF1RNTRK1KDRKCNH2 | |
| SCHEMBL1256042 | 0.85 | RET (0.62) | RETCSF1RNTRK1KDRKCNH2 | |
| SCHEMBL14673943 | 0.85 | KIT (0.44) | RETCSF1RNTRK1KDRKCNH2 | |
| SCHEMBL1256154 | 0.84 | RET (0.55) | RETCSF1RNTRK1KDRKCNH2 | |
| SCHEMBL1256381 | 0.84 | RET (0.54) | RETCSF1RNTRK1KDRKCNH2 | |
| SCHEMBL14673880 | 0.84 | RET (0.50) | RETCSF1RNTRK1KDRKCNH2 | |
| SCHEMBL1255966 | 0.82 | RET (0.54) | RETCSF1RNTRK1KDRKCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130035326-A1 | BIARYL COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2013-02-07 | — | — | US | disclosed |
| EP-2467137-A1 | BIARYL COMPOUNDS AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2012-06-27 | — | — | EP | disclosed |
| WO-2011022473-A1 | BIARYL COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2011-02-24 | — | — | 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 (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-20130035326-A1 | BIARYL COMPOUNDS AND METHODS OF USE THEREOF | FLT3, CSF3R, CSF1R | KDR 27/4885EGFR 252/4885ROCK1 1225/4885 |
“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.