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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.34 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.34 |
| ▸ | KIT known ✓ | P10721 | 2/20 | 0.34 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.33 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NR2E1 | Q9Y466 | 4/20 | 0.35 |
| ▸ | LDLR | P01130 | 1/20 | 0.35 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.34 |
| ▸ | DDR2 | Q16832 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7122184 | 1.00 | DYRK1A (0.36) | DYRK1ANPC1NR2E1LDLRPCSK9 | |
| SCHEMBL7122204 | 0.95 | DYRK1A (0.40) | DYRK1ANR2E1LDLRPCSK9MAPK13 | |
| Hydrochloric Acid SCHEMBL7117269 | 0.94 | DYRK1A (0.40) | DYRK1ANR2E1LDLRPCSK9MAPK13 | |
| Hydrochloric Acid SCHEMBL7123978 | 0.94 | DYRK1A (0.40) | DYRK1ANR2E1LDLRPCSK9MAPK13 | |
| SCHEMBL7119959 | 0.84 | PSEN1 (0.40) | NPC1EGFRCYP3A4PSEN1PSEN2 | |
| SCHEMBL7126114 | 0.83 | DYRK1A (0.38) | DYRK1AEGFR | |
| SCHEMBL7118834 | 0.82 | PSEN1 (0.40) | DYRK1ANPC1EGFRCYP3A4PSEN1 | |
| SCHEMBL7115935 | 0.78 | DYRK1A (0.40) | DYRK1AEGFR | |
| SCHEMBL7119936 | 0.77 | DYRK1A (0.34) | DYRK1AEGFR | |
| SCHEMBL7125546 | 0.76 | BRD4 (0.45) | DYRK1ANPC1EGFR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030176454-A1 | N-coating heterocyclic compounds | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-09-18 | — | — | US | claimed |
| WO-2001087845-A2 | N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-22 | — | — | WO | claimed |
| US-20030176454-A1 | N-coating heterocyclic compounds | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-09-18 | — | — | US | disclosed |
| WO-2001087845-A2 | N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-22 | — | — | 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-20030176454-A1 | N-coating heterocyclic compounds | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 | EGFR 319/4885BRAF 2125/4885KIT 434/4885 |
“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.