Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 20/20 | 0.86 |
| ▸ | PDGFRB known ✓ | P09619 | 6/20 | 0.86 |
| ▸ | FLT1 known ✓ | P17948 | 6/20 | 0.86 |
| ▸ | KIT known ✓ | P10721 | 5/20 | 0.86 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.66 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.52 |
| ▸ | RET known ✓ | P07949 | 1/20 | 0.52 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.52 |
| ▸ | AURKA | O14965 | 4/20 | 0.86 |
| ▸ | MET | P08581 | 1/20 | 0.56 |
| ▸ | CSF1R | P07333 | 1/20 | 0.52 |
| ▸ | YES1 | P07947 | 1/20 | 0.52 |
| ▸ | BCR | P11274 | 1/20 | 0.52 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.52 |
| ▸ | ABL2 | P42684 | 1/20 | 0.52 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.52 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.52 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.52 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.52 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4284683 | 0.93 | KDR (1.00) | KDRPDGFRBFLT1KITAURKA | |
| Hydrochloric Acid SCHEMBL4280688 | 0.92 | KDR (0.98) | KDRPDGFRBFLT1KITAURKA | |
| SCHEMBL4291399 | 0.84 | KDR (0.83) | KDRPDGFRBFLT1KITAURKA | |
| SCHEMBL4280670 | 0.83 | KDR (0.81) | KDRPDGFRBFLT1KITAURKA | |
| SCHEMBL4286342 | 0.83 | KDR (0.81) | KDRPDGFRBFLT1KITAURKA | |
| SCHEMBL4293919 | 0.82 | KDR (0.74) | KDRPDGFRBFLT1KITAURKA | |
| SCHEMBL4285536 | 0.82 | KDR (0.80) | KDRPDGFRBFLT1KITAURKA | |
| SCHEMBL4288815 | 0.81 | KDR (0.78) | KDRPDGFRBFLT1KITAURKA | |
| SCHEMBL4283910 | 0.81 | KDR (1.00) | KDRPDGFRBFLT1KITAURKA | |
| SCHEMBL4282404 | 0.80 | KDR (0.77) | KDRPDGFRBFLT1KITAURKA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2162445-B1 | HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2013-11-27 | — | — | EP | disclosed |
| US-8304557-B2 | Fused heterocycle derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-06 | — | — | US | disclosed |
| US-20090163488-A1 | FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-25 | — | — | 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-20090163488-A1 | FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF | NOX3, NOX5, ZYX | KDR 2311/4885PDGFRB 3323/4885FLT1 2409/4885 |
“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.