SCHEMBL3461079

SCHEMBL3461079

Nc1ccc(NC(=O)Nc2ccccc2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.60
MAPT P10636 8/20 0.60
KMT2A Q03164 8/20 0.60
RAB9A P51151 6/20 0.60
NPC1 O15118 6/20 0.60
NPSR1 Q6W5P4 3/20 0.60
GAA P10253 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
POLB P06746 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 4/20 0.60
ALDH1A1 P00352 1/20 0.60
ALOX15 P16050 1/20 0.60
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 5/20 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
SCHEMBL3460837 0.89 CA12 (0.62) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL21750900 0.87 MEN1 (0.68) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL30664565 0.87 MEN1 (0.68) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL21750998 0.84 RAB9A (0.56) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL29757943 0.84 MAOA (0.61) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL21750979 0.84 MAOA (0.61) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL7549704 0.84 CXCR2 (0.68) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL21751042 0.84 MEN1 (0.62) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL3461076 0.83 RAB9A (0.56) MEN1MAPTKMT2ARAB9ANPC1
SCHEMBL11895913 0.82 MEN1 (0.71) MEN1MAPTKMT2ARAB9ANPC1

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 9 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
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO 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 (3 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 3672/4885MAPT 3554/4885KMT2A 1657/4885
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 3672/4885MAPT 3554/4885KMT2A 1657/4885
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B MEN1 4730/4885MAPT 2831/4885KMT2A 2144/4885

“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.