SCHEMBL21750979

SCHEMBL21750979

O=C(Nc1ccccc1)Nc1ccc(O)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
MEN1 O00255 6/20 0.60
MAPT P10636 6/20 0.60
KMT2A Q03164 6/20 0.60
RAB9A P51151 6/20 0.60
NPC1 O15118 6/20 0.60
NPSR1 Q6W5P4 2/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TRPV1 Q8NER1 4/20 0.58
LMNA P02545 5/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
CXCR2 P25025 2/20 0.55

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
SCHEMBL29757943 1.00 MAOA (0.61) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL26697200 0.91 GRIK1 (0.58) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL26697254 0.84 KMT2A (0.72) MEN1MAPTKMT2AKDM4EPOLB
SCHEMBL21750906 0.84 RAB9A (0.56) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL29757932 0.84 RAB9A (0.56) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL26697246 0.84 KMT2A (0.56) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL3461079 0.84 MEN1 (0.60) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL26697226 0.84 TRPV1 (0.64) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL4350075 0.83 CXCR2 (0.71) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL8492558 0.82 MAOA (0.62) MAOAMAOBMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920703-B Quinazoline derivative and preparation method and application thereof 天津济坤医药科技有限公司 2024-01-09 CN 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
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
WO-2022045365-A1 POLYPEPTIDE CONTAINING FIBRONECTIN TYPE III DOMAIN SCAFFOLD 国立大学法人東海国立大学機構 2022-03-03 WO 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
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 MAOA 1395/4885MAOB 1295/4885MEN1 3672/4885
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BRAF, RAF1, ARAF MAOA 1395/4885MAOB 1295/4885MEN1 3672/4885

“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.