SCHEMBL21750985

SCHEMBL21750985

O=C(Nc1ccc(O)cc1F)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
TMPRSS4 Q9NRS4 1/20 0.53
KDR P35968 4/20 0.53
TSHR P16473 1/20 0.52
BRAF P15056 8/20 0.51
CHRNA7 P36544 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
KIF11 P52732 1/20 0.48

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
SCHEMBL21750964 0.88 KDR (0.57) MEN1KMT2ACA12CA1CA2
SCHEMBL21750852 0.86 CA12 (0.70) MEN1KMT2ACA12CA1CA2
SCHEMBL4923336 0.84 CA12 (0.55) MEN1KMT2ACA12CA1CA2
SCHEMBL10273824 0.84 CA12 (0.55) MEN1KMT2ACA12CA1CA2
SCHEMBL15925265 0.84 CA12 (0.55) MEN1KMT2ACA12CA1CA2
SCHEMBL60100 0.84 LMNA (0.58) MEN1KMT2ACA12CA1CA2
SCHEMBL16621348 0.83 P2RX1 (0.55) MEN1KMT2ACA12CA1CA2
SCHEMBL16942637 0.81 CA12 (0.52) MEN1KMT2ACA12CA1CA2
SCHEMBL171921 0.79 CA12 (0.58) MEN1KMT2ACA12CA1CA2
SCHEMBL5271094 0.78 KDR (0.69) MEN1KMT2ACA12CA1CA2

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 MEN1 3672/4885KMT2A 1657/4885CA12 2569/4885
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BRAF, RAF1, ARAF MEN1 3672/4885KMT2A 1657/4885CA12 2569/4885

“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.