SCHEMBL21750971

SCHEMBL21750971

CC(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
MAPT P10636 5/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 4/20 0.57
TRPV1 Q8NER1 1/20 0.54
AURKA O14965 1/20 0.53
PDPK1 O15530 1/20 0.53
JAK2 O60674 1/20 0.53
GMNN O75496 1/20 0.53
EGFR P00533 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
LYN P07948 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 1/20 0.53

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
SCHEMBL8407519 0.86 MAPT (0.64) MAPK1MAPTKMT2AMEN1NPC1
SCHEMBL7861107 0.84 CXCR1 (0.63) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL11269623 0.84 MAPT (0.65) MAPK1MAPTKMT2AMEN1NPC1
SCHEMBL26098141 0.83 ALDH1A1 (0.60) MAPK1MAPTKMT2AMEN1NPC1
SCHEMBL26098143 0.83 ALDH1A1 (0.60) MAPK1MAPTKMT2AMEN1NPC1
SCHEMBL4014462 0.82 ALDH1A1 (0.64) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL26097943 0.81 ALDH1A1 (0.57) MAPK1MAPTKMT2AMEN1NPC1
SCHEMBL26097939 0.81 ALDH1A1 (0.57) MAPK1MAPTKMT2AMEN1NPC1
SCHEMBL8930598 0.81 MAPT (0.63) MAPK1MAPTKMT2AMEN1NPC1
SCHEMBL31054245 0.80 MAPT (0.80) MAPK1MAPTKMT2AMEN1NPC1

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 5 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
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 MAPK1 120/4885MAPT 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 MAPK1 120/4885MAPT 3554/4885KMT2A 1657/4885

“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.