SCHEMBL21750977

SCHEMBL21750977

Nc1ccc(NC(=O)NC2CCC2)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.72
HTT P42858 3/20 0.63
NPC1 O15118 4/20 0.61
EPHX1 P07099 2/20 0.56
GAA P10253 1/20 0.56
UBE2M P61081 1/20 0.54
DCUN1D1 Q96GG9 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.51
USP30 Q70CQ3 1/20 0.51
EPHX2 P34913 4/20 0.50
MAPT P10636 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL21751023 0.97 RAB9A (0.76) RAB9AHTTNPC1EPHX1GAA
SCHEMBL21750958 0.96 RAB9A (0.74) RAB9AHTTNPC1EPHX1GAA
SCHEMBL21750894 0.94 HTT (0.71) RAB9AHTTNPC1EPHX1GAA
SCHEMBL21750902 0.85 RAB9A (0.72) RAB9AHTTNPC1EPHX1UBE2M
SCHEMBL2751089 0.84 RAB9A (1.00) RAB9AHTTNPC1EPHX1UBE2M
SCHEMBL21750908 0.82 RAB9A (0.76) RAB9AHTTNPC1EPHX1SMN1; SMN2
SCHEMBL21750960 0.81 RAB9A (0.74) RAB9AHTTNPC1EPHX1SMN1; SMN2
SCHEMBL1322743 0.79 HTT (0.71) RAB9AHTTNPC1EPHX1UBE2M
SCHEMBL29419622 0.79 HTT (0.71) RAB9AHTTNPC1EPHX1UBE2M
SCHEMBL2751896 0.78 RAB9A (0.70) RAB9AHTTNPC1EPHX1GAA

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 7 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
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
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 2021/4885HTT 3560/4885NPC1 3865/4885
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 2021/4885HTT 3560/4885NPC1 3865/4885

“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.