SCHEMBL25337072

SCHEMBL25337072

O=[N+]([O-])c1cccc(-c2ccnc(Nc3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.79
ABL1 P00519 3/20 0.64
BCR P11274 3/20 0.64
PRKCA P17252 3/20 0.64
CDK4 P11802 2/20 0.63
PIM1 P11309 1/20 0.63
CCND3 P30281 1/20 0.63
MTOR P42345 1/20 0.63
GSK3B P49841 1/20 0.63
EGFR P00533 2/20 0.63
SRC P12931 1/20 0.63
PIK3CA P42336 4/20 0.57
PIK3CB P42338 4/20 0.57
PIK3CG P48736 4/20 0.57
CLK1 P49759 1/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CDK2 P24941 3/20 0.52
ERBB2 P04626 1/20 0.52
SYK P43405 1/20 0.50

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
SCHEMBL31119109 1.00 PLK1 (0.79) PLK1ABL1BCRPRKCACDK4
SCHEMBL4735604 0.89 PLK1 (1.00) PLK1ABL1BCRPRKCACDK4
SCHEMBL4736270 0.88 ABL1 (0.71) PLK1ABL1BCRPRKCACDK4
SCHEMBL4736553 0.88 PLK1 (0.84) PLK1ABL1BCRPRKCACDK4
SCHEMBL31118991 0.86 PIK3CA (0.76) PLK1ABL1BCRPRKCACDK4
SCHEMBL25333930 0.86 PIK3CA (0.76) PLK1ABL1BCRPRKCACDK4
SCHEMBL4733651 0.85 PLK1 (0.84) PLK1ABL1BCRPRKCACDK4
SCHEMBL824007 0.85 ABL1 (0.84) PLK1ABL1BCRPRKCACDK4
SCHEMBL2944816 0.84 CLK1 (0.60) PLK1MTORGSK3BCLK1MEN1
SCHEMBL4733185 0.83 PLK1 (0.79) PLK1ABL1BCRPRKCACDK4

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
US-20260022099-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2026-01-22 US disclosed
US-12371408-B2 Aryl hydrocarbon receptor agonists and uses thereof NEXYS THERAPEUTICS, INC. (US) 2025-07-29 US disclosed
US-12168646-B2 Aryl hydrocarbon receptor agonists and uses thereof NEXYS THERAPEUTICS, INC. (US) 2024-12-17 US disclosed
EP-4472953-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF Nexys Therapeutics, Inc. (US) 2024-12-11 EP disclosed
US-20240279185-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-08-22 US disclosed
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
WO-2023150197-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2023-08-10 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 (5 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-12371408-B2 Aryl hydrocarbon receptor agonists and uses thereof AHR, ARNT, NR1H2 PLK1 4810/4885ABL1 3084/4885BCR 1887/4885
US-20260022099-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, NR1H4, CNR1 PLK1 4850/4885ABL1 3283/4885BCR 1040/4885
US-20240279185-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 PLK1 4810/4885ABL1 3084/4885BCR 1887/4885
US-12168646-B2 Aryl hydrocarbon receptor agonists and uses thereof AHR, ARNT, NR1H2 PLK1 4810/4885ABL1 3084/4885BCR 1887/4885
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 PLK1 4810/4885ABL1 3084/4885BCR 1887/4885

“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.