SCHEMBL21750906

SCHEMBL21750906

O=C(Nc1ccc(F)cc1)Nc1ccc(O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GRIK1 P39086 2/20 0.55
HTT P42858 4/20 0.53
POLB P06746 1/20 0.53
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
KMT2A Q03164 2/20 0.49
TRPV1 Q8NER1 2/20 0.49
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
MEN1 O00255 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
CNR1 P21554 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
SCHEMBL29757932 1.00 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GRIK1HTT
SCHEMBL21750998 0.85 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GRIK1HTT
SCHEMBL26697246 0.85 KMT2A (0.56) RAB9ANPC1SMN1; SMN2GRIK1HTT
SCHEMBL21750979 0.84 MAOA (0.61) RAB9ANPC1SMN1; SMN2GRIK1HTT
SCHEMBL29757943 0.84 MAOA (0.61) RAB9ANPC1SMN1; SMN2GRIK1HTT
SCHEMBL14540643 0.84 NPC1 (0.65) RAB9ANPC1SMN1; SMN2GRIK1HTT
SCHEMBL26697226 0.84 TRPV1 (0.64) RAB9ANPC1SMN1; SMN2GRIK1HTT
SCHEMBL26697260 0.84 CA12 (0.64) RAB9AGRIK1HTTCA12CA1
SCHEMBL26697200 0.82 GRIK1 (0.58) RAB9ANPC1SMN1; SMN2GRIK1POLB
SCHEMBL26697279 0.82 NPC1 (0.53) RAB9ANPC1SMN1; SMN2HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023226323-A1 QUINAZOLINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 天津济坤医药科技有限公司 2023-11-30 WO disclosed
WO-2023226323-A1 QUINAZOLINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 天津济坤医药科技有限公司 2023-11-30 WO disclosed
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
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
CN-114920703-A Quinazoline derivative and preparation method and application thereof 天津济坤医药科技有限公司 2022-08-19 CN 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-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
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 RAB9A 2021/4885NPC1 3865/4885SMN1; SMN2 4810/4885
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BRAF, RAF1, ARAF RAB9A 2021/4885NPC1 3865/4885SMN1; SMN2 4810/4885

“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.