SCHEMBL21246957

SCHEMBL21246957

COc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3)c2c2c1OCCO2

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.61
KDR P35968 9/20 0.52
PDGFRA P16234 2/20 0.52
MET P08581 1/20 0.43
EGFR P00533 1/20 0.42

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL21750982 0.89 KDR (0.57) RETKDRPDGFRAEGFR
SCHEMBL21246953 0.86 KDR (0.59) RETKDRMETEGFR
SCHEMBL21750833 0.85 RET (0.59) RETKDREGFR
SCHEMBL21246955 0.83 RET (0.64) RETKDRPDGFRA
SCHEMBL21262601 0.81 RET (0.70) RETKDR
SCHEMBL22781632 0.81 RET (0.69) RETKDR
SCHEMBL22769725 0.80 RET (0.60) RETKDREGFR
SCHEMBL14967402 0.80 PDGFRA (0.55) KDRPDGFRAMET
SCHEMBL23749560 0.79 RET (0.60) RETKDREGFR
SCHEMBL21751008 0.79 RET (0.61) RETKDRPDGFRAMETEGFR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750894-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2024-04-03 EP disclosed
EP-3590941-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
EP-3590941-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
EP-3750893-B1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-04-19 EP disclosed
US-11479559-B2 Urea-substituted aromatic ring-linked dioxinoquinoline compounds, preparation method and uses thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-10-25 US disclosed
US-11407760-B2 Dioxinoquinoline compounds, preparation method and uses thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-08-09 US disclosed
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2021-04-20 US disclosed
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2021-04-20 US disclosed
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2020-12-24 US disclosed
US-20200399284-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2020-12-24 US disclosed
EP-3750894-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-12-16 EP disclosed
EP-3750893-A1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-12-16 EP disclosed
US-20200061065-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2020-02-27 US disclosed
US-20200061065-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2020-02-27 US disclosed
WO-2019154133-A1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-08-15 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 (6 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200399284-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF RET, BRAF, RAF1 RET 1/4885KDR 4/4885PDGFRA 1278/4885
US-20200061065-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BRAF, RAF1, ARAF RET 10/4885KDR 5/4885PDGFRA 1692/4885
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BRAF, RAF1, ARAF RET 10/4885KDR 5/4885PDGFRA 1692/4885
US-11407760-B2 Dioxinoquinoline compounds, preparation method and uses thereof KDR, MET, ABL1 RET 7/4885KDR 1/4885PDGFRA 127/4885
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF KDR, MET, ABL1 RET 7/4885KDR 1/4885PDGFRA 127/4885
US-11479559-B2 Urea-substituted aromatic ring-linked dioxinoquinoline compounds, preparation method and uses thereof RET, BRAF, RAF1 RET 1/4885KDR 4/4885PDGFRA 1278/4885

“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.