SCHEMBL22769725

SCHEMBL22769725

O=[N+]([O-])c1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.60
KDR P35968 7/20 0.58
RAF1 P04049 2/20 0.47
BRAF P15056 2/20 0.47
EGFR P00533 5/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL22769719 0.88 RET (0.62) RETKDRRAF1BRAFEGFR
SCHEMBL31441113 0.88 RET (0.62) RETKDRRAF1BRAFEGFR
SCHEMBL21246971 0.88 RET (0.57) RETKDRRAF1BRAFEGFR
SCHEMBL21246991 0.87 RET (0.62) RETKDRRAF1BRAFEGFR
SCHEMBL21750982 0.84 KDR (0.57) RETKDREGFR
SCHEMBL23770980 0.83 RET (0.57) RETKDRRAF1BRAFEGFR
SCHEMBL23749286 0.83 RET (0.62) RETKDRRAF1BRAFEGFR
SCHEMBL21265689 0.83 RET (0.58) RETKDRRAF1BRAFEGFR
SCHEMBL21246957 0.80 RET (0.61) RETKDREGFR
SCHEMBL21262659 0.80 RET (0.79) RETKDRRAF1BRAFEGFR

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.

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
EP-3750893-A1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-12-16 EP 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 1/4885RAF1 76/4885
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF KDR, MET, ABL1 RET 7/4885KDR 1/4885RAF1 76/4885

“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.