SCHEMBL22769716

SCHEMBL22769716

CCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2c2c1OCCO2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.53
MET P08581 2/20 0.49
KDR P35968 6/20 0.49
RET P07949 5/20 0.49
S1PR4 O95977 1/20 0.39
HSPB1 P04792 1/20 0.39

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
SCHEMBL21246953 0.90 KDR (0.59) EGFRMETKDRRETHSPB1
SCHEMBL30664566 0.90 KDR (0.59) EGFRMETKDRRETS1PR4
SCHEMBL21750909 0.90 KDR (0.59) EGFRMETKDRRETS1PR4
SCHEMBL23749295 0.85 KDR (0.47) EGFRMETKDRRETS1PR4
Bromide SCHEMBL22769727 0.85 KDR (0.46) EGFRMETKDRRETS1PR4
SCHEMBL31441113 0.84 RET (0.62) EGFRMETKDRRET
SCHEMBL22769719 0.84 RET (0.62) EGFRMETKDRRET
SCHEMBL22769707 0.83 MET (0.51) EGFRMETKDRRET
SCHEMBL23749502 0.77 KDR (0.59) EGFRKDRRET
SCHEMBL21750982 0.76 KDR (0.57) EGFRKDRRET

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 EGFR 32/4885MET 2/4885KDR 1/4885
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF KDR, MET, ABL1 EGFR 32/4885MET 2/4885KDR 1/4885

“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.