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 | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 11/20 | 0.66 |
| ▸ | PDGFRB known ✓ | P09619 | 7/20 | 0.66 |
| ▸ | FLT1 known ✓ | P17948 | 6/20 | 0.66 |
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.66 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.66 |
| ▸ | BCR known ✓ | P11274 | 1/20 | 0.66 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.66 |
| ▸ | PLK4 | O00444 | 1/20 | 0.66 |
| ▸ | AURKA | O14965 | 1/20 | 0.66 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.66 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.66 |
| ▸ | STK10 | O94804 | 1/20 | 0.66 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.66 |
| ▸ | INSR | P06213 | 1/20 | 0.66 |
| ▸ | LCK | P06239 | 1/20 | 0.66 |
| ▸ | FYN | P06241 | 1/20 | 0.66 |
| ▸ | YES1 | P07947 | 1/20 | 0.66 |
| ▸ | LYN | P07948 | 1/20 | 0.66 |
| ▸ | RET | P07949 | 1/20 | 0.66 |
| ▸ | MET | P08581 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL3084118 | 0.96 | KDR (0.68) | KDRPDGFRBFLT1EGFRPLK4 | |
| SCHEMBL3082449 | 0.92 | KDR (0.60) | KDRPDGFRBFLT1EGFRPLK4 | |
| SCHEMBL377856 | 0.90 | KDR (0.68) | KDRPDGFRBFLT1EGFRPLK4 | |
| SCHEMBL4845376 | 0.90 | KDR (0.56) | KDRPDGFRBFLT1EGFRPLK4 | |
| SCHEMBL3091244 | 0.90 | KDR (0.62) | KDRPDGFRBFLT1EGFRPLK4 | |
| SCHEMBL378707 | 0.88 | KDR (0.63) | KDRPDGFRBFLT1EGFRPLK4 | |
| SCHEMBL378655 | 0.87 | KDR (0.85) | KDRPDGFRBFLT1EGFRPLK4 | |
| SCHEMBL377891 | 0.87 | KDR (0.63) | KDRPDGFRBFLT1EGFRPLK4 | |
| SCHEMBL3087425 | 0.86 | KDR (0.84) | KDRPDGFRBFLT1EGFRPLK4 | |
| SCHEMBL3091898 | 0.86 | KDR (0.81) | KDRPDGFRBFLT1EGFRPLK4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7790902-B2 | Isothiazole derivatives useful as anticancer agents | PFIZER, INC. (US) | 2010-09-07 | — | — | US | disclosed |
| US-20080300249-A1 | tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents | PFIZER, INC. (US) | 2008-12-04 | — | — | US | disclosed |
| US-7405218-B2 | Isothiazole derivatives useful as anticancer agents | PFIZER, INC. (US) | 2008-07-29 | — | — | US | disclosed |
| US-20030149048-A1 | Isothiazole derivatives useful as anticancer agents | PFIZER INC. | 2003-08-07 | — | — | US | disclosed |
| US-6548526-B2 | Isothiazole derivatives useful as anticancer agents | PFIZER INC | 2003-04-15 | — | — | US | disclosed |
| US-20010020034-A1 | Isothiazole derivatives useful as anticancer agents | PFIZER, INC. | 2001-09-06 | — | — | US | disclosed |
| US-6235764-B1 | Isothiazole derivatives useful as anticancer agents | PFIZER INC. | 2001-05-22 | — | — | 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 (3 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-20010020034-A1 | Isothiazole derivatives useful as anticancer agents | TP53, MCL1, ACIN1 | KDR 2745/4885PDGFRB 3361/4885FLT1 1112/4885 |
| US-20080300249-A1 | tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents | CDKN1A, TK1, CDK1 | KDR 470/4885PDGFRB 741/4885FLT1 223/4885 |
| US-20030149048-A1 | Isothiazole derivatives useful as anticancer agents | TP53, MCL1, ACIN1 | KDR 2745/4885PDGFRB 3361/4885FLT1 1112/4885 |
“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.