SCHEMBL21246971

SCHEMBL21246971

O=[N+]([O-])c1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)cc1F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.57
KDR P35968 6/20 0.57
EGFR P00533 5/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAF1 P04049 4/20 0.46
BRAF P15056 4/20 0.46
MET P08581 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL22769725 0.88 RET (0.60) RETKDREGFRCYP1A2CYP2D6
SCHEMBL21265689 0.86 RET (0.58) RETKDREGFRRAF1BRAF
SCHEMBL22769719 0.85 RET (0.62) RETKDREGFRRAF1BRAF
SCHEMBL31441113 0.85 RET (0.62) RETKDREGFRRAF1BRAF
SCHEMBL22779035 0.83 KDR (0.61) RETKDREGFRRAF1BRAF
SCHEMBL21750833 0.82 RET (0.59) RETKDREGFR
SCHEMBL21246991 0.81 RET (0.62) RETKDREGFRRAF1BRAF
SCHEMBL23770980 0.80 RET (0.57) RETKDREGFRRAF1BRAF
SCHEMBL23749286 0.79 RET (0.62) RETKDREGFRRAF1BRAF
SCHEMBL21262859 0.79 RET (0.62) RETKDREGFRRAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750893-B1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-04-19 EP disclosed
US-11407760-B2 Dioxinoquinoline compounds, preparation method and uses thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-08-09 US disclosed
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2020-12-24 US disclosed
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2020-12-24 US disclosed
EP-3750893-A1 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
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
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 (2 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-11407760-B2 Dioxinoquinoline compounds, preparation method and uses thereof KDR, MET, ABL1 RET 7/4885KDR 1/4885EGFR 32/4885
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF KDR, MET, ABL1 RET 7/4885KDR 1/4885EGFR 32/4885

“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.