SCHEMBL21750828

SCHEMBL21750828

COCCCOc1cc2ncnc(Cl)c2c2c1OCCO2

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.54
KDR P35968 2/20 0.47
RET P07949 3/20 0.45
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45

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
SCHEMBL21751018 0.96 EGFR (0.53) EGFRKDRRETRAF1BRAF
SCHEMBL17934351 0.94 EGFR (0.60) EGFRKDRRAF1BRAF
SCHEMBL30664568 0.85 KDR (0.47) EGFRKDR
SCHEMBL21750867 0.85 KDR (0.47) EGFRKDR
SCHEMBL21774022 0.85 KDR (0.47) EGFRKDR
SCHEMBL17934334 0.84 EGFR (0.59) EGFRKDRRET
SCHEMBL17934408 0.84 EGFR (0.57) EGFRKDRRAF1BRAF
SCHEMBL21751043 0.84 KDR (0.51) EGFRKDR
SCHEMBL21775453 0.83 KDR (0.47) EGFRKDR
SCHEMBL17934367 0.82 EGFR (0.63) EGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

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-20200061065-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BRAF, RAF1, ARAF EGFR 363/4885KDR 5/4885RET 10/4885
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BRAF, RAF1, ARAF EGFR 363/4885KDR 5/4885RET 10/4885

“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.