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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 20/20 | 0.85 |
| ▸ | ERBB2 | P04626 | 19/20 | 0.85 |
| ▸ | ERBB3 | P21860 | 11/20 | 0.74 |
| ▸ | ERBB4 | Q15303 | 11/20 | 0.74 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.68 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.68 |
| ▸ | LCK | P06239 | 1/20 | 0.68 |
| ▸ | LYN | P07948 | 1/20 | 0.68 |
| ▸ | MET | P08581 | 1/20 | 0.68 |
| ▸ | CSK | P41240 | 1/20 | 0.68 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.68 |
| ▸ | MAP2K5 | Q13163 | 1/20 | 0.68 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.68 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL2747183 | 0.99 | EGFR (0.86) | EGFRERBB2ERBB3ERBB4BMPR1B | |
| SCHEMBL2749278 | 0.92 | EGFR (0.99) | EGFRERBB2ERBB3ERBB4BMPR1B | |
| SCHEMBL986159 | 0.92 | EGFR (1.00) | EGFRERBB2ERBB3ERBB4BMPR1B | |
| SCHEMBL2748783 | 0.92 | EGFR (0.72) | EGFRERBB2ERBB3ERBB4BMPR1B | |
| SCHEMBL3507447 | 0.92 | EGFR (0.73) | EGFRERBB2ERBB3ERBB4BMPR1B | |
| Hydrochloric Acid SCHEMBL2748254 | 0.91 | EGFR (0.99) | EGFRERBB2ERBB3ERBB4BMPR1B | |
| Hydrochloric Acid SCHEMBL3507200 | 0.91 | EGFR (0.73) | EGFRERBB2ERBB3ERBB4BMPR1B | |
| SCHEMBL986551 | 0.91 | EGFR (0.72) | EGFRERBB2ERBB3ERBB4BMPR1B | |
| SCHEMBL14607307 | 0.90 | EGFR (0.82) | EGFRERBB2ERBB3ERBB4BMPR1B | |
| SCHEMBL3508280 | 0.90 | EGFR (0.88) | EGFRERBB2ERBB3ERBB4BMPR1B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8178543-B2 | growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-05-15 | — | — | US | disclosed |
| US-20090203717-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-13 | — | — | US | disclosed |
| US-7507740-B2 | Fused heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-03-24 | — | — | US | disclosed |
| US-20090029973-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-01-29 | — | — | US | disclosed |
| US-20090018335-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-01-15 | — | — | US | disclosed |
| US-20070244132-A1 | Fused Heterocyclic Compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-10-18 | — | — | 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 (4 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-20090203717-A1 | FUSED HETEROCYCLIC COMPOUND | NOX3, ERBB3, CBR3 | EGFR 68/4885ERBB2 21/4885ERBB3 2/4885 |
| US-20070244132-A1 | Fused Heterocyclic Compound | NOX3, ERBB3, CBR3 | EGFR 68/4885ERBB2 21/4885ERBB3 2/4885 |
| US-20090029973-A1 | FUSED HETEROCYCLIC COMPOUND | NOX3, ERBB3, CBR3 | EGFR 68/4885ERBB2 21/4885ERBB3 2/4885 |
| US-20090018335-A1 | FUSED HETEROCYCLIC COMPOUND | NOX3, ERBB3, CBR3 | EGFR 68/4885ERBB2 21/4885ERBB3 2/4885 |
“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.