SCHEMBL568019

SCHEMBL568019

O=[N+]([O-])c1c(Br)ccc2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 8/20 0.54
GSK3B P49841 1/20 0.54
CLK1 P49759 1/20 0.49
DAPK3 O43293 1/20 0.46
PLK1 P53350 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
PLK2 Q9NYY3 1/20 0.46
IMPDH2 P12268 2/20 0.45
TYMS P04818 1/20 0.39
AXL P30530 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERN1 O75460 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL30481290 1.00 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL2502319 0.80 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL1982292 0.80 TSHR (0.60) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL3589139 0.80 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL18935881 0.80 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL14423247 0.80 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
Bromide SCHEMBL16238937 0.79 HASPIN (0.52) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL3609606 0.78 HASPIN (0.56) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL31179441 0.78 HASPIN (0.51) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL1982994 0.78 HASPIN (0.51) HASPINGSK3BCLK1DAPK3PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066318-A1 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS PROTHENA BIOSCIENCES INC 2025-02-27 US disclosed
CN-118843626-A Heterocyclic compounds as DYRK1A inhibitors 普罗塞纳生物科学有限公司 2024-10-25 CN disclosed
US-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS THE TRUSTEES OF PRINCETON UNIVERSITY 2024-10-17 US disclosed
EP-4444421-A2 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors KAYOTHERA INC. (US) 2024-08-06 US disclosed
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KAYOTHERA INC. (US) 2024-04-25 US disclosed
CN-117897370-A Heterocyclic compounds and their use 凯悦施那有限公司 2024-04-16 CN disclosed
EP-4326696-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kayothera Inc. (US) 2024-02-28 EP disclosed
WO-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed
WO-2022226383-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KAYOTHERA INC. (US) 2022-10-27 WO disclosed
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
CN-102448941-A Substituted isoquinoline derivatives WESTERN THERAPEUTICS INST INC D 2012-05-09 CN disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US disclosed
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US disclosed
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US disclosed
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US disclosed
WO-2007109182-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 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 (6 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-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS ALDH3A1, ALDH2, ALDH1A2 HASPIN 1737/4885GSK3B 874/4885CLK1 2596/4885
US-20250066318-A1 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS DYRK1A, DYRK2, DYRK1B HASPIN 1013/4885GSK3B 121/4885CLK1 22/4885
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 HASPIN 1351/4885GSK3B 1086/4885CLK1 2237/4885
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors ALDH3A1, ALDH2, ALDH1A2 HASPIN 1737/4885GSK3B 874/4885CLK1 2596/4885
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, ALDH2, PDK1 HASPIN 1336/4885GSK3B 805/4885CLK1 3371/4885
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 HASPIN 1276/4885GSK3B 3694/4885CLK1 1661/4885

“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.