SCHEMBL21750965

SCHEMBL21750965

O=C(Nc1ccc(O)c(F)c1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA9 Q16790 1/20 0.67
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KDR P35968 6/20 0.60
TMPRSS4 Q9NRS4 1/20 0.57
IDH1 O75874 1/20 0.55
NTRK1 P04629 2/20 0.55
CDK19 Q9BWU1 1/20 0.55
CHRNA7 P36544 1/20 0.54
PDGFRB P09619 2/20 0.53
RET P07949 1/20 0.53
LTK P29376 1/20 0.53
FLT3 P36888 1/20 0.53
CDK8 P49336 1/20 0.53
NTRK3 Q16288 1/20 0.53
MAPK14 Q16539 1/20 0.53
NTRK2 Q16620 1/20 0.53

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
SCHEMBL21750852 0.86 CA12 (0.70) CA12CA1CA2CA9MEN1
SCHEMBL13541769 0.82 CA12 (0.69) CA12CA1CA2CA9MEN1
SCHEMBL4340395 0.82 CA12 (0.69) CA12CA1CA2CA9MEN1
SCHEMBL5271094 0.82 KDR (0.69) CA12CA1CA2CA9MEN1
SCHEMBL674031 0.81 CA2 (1.00) CA12CA1CA2CA9KMT2A
SCHEMBL15133009 0.80 CA12 (0.66) CA12CA1CA2CA9MEN1
SCHEMBL4798426 0.80 CA12 (0.65) CA12CA1CA2CA9MEN1
SCHEMBL1462428 0.79 MEN1 (1.00) CA12CA1CA2CA9MEN1
SCHEMBL29389109 0.79 MEN1 (1.00) CA12CA1CA2CA9MEN1
SCHEMBL14014078 0.79 GRIK1 (0.60) CA12CA1CA2CA9MEN1

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-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
CN-108530455-B Urea substituted aromatic ring connecting dioxane and quinazoline compound or medicinal salt or hydrate and application as tyrosine kinase inhibitor 北京赛特明强医药科技有限公司 2021-01-12 CN 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 CA12 2569/4885CA1 2792/4885CA2 1351/4885
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BRAF, RAF1, ARAF CA12 2569/4885CA1 2792/4885CA2 1351/4885

“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.