SCHEMBL30554571

SCHEMBL30554571

COC(=O)c1ccc([N+](=O)[O-])cc1-c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.50
PIK3CB P42338 5/20 0.50
PIK3CG P48736 5/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PLK1 P53350 1/20 0.49
CDK2 P24941 6/20 0.47
GSK3B P49841 4/20 0.47
CDK4 P11802 3/20 0.47
CCNA2 P20248 1/20 0.44
CCNA1 P78396 1/20 0.44
CLK1 P49759 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PRKCA P17252 1/20 0.44
SYK P43405 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PIM1 P11309 1/20 0.42
CCND3 P30281 1/20 0.42

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
SCHEMBL25337330 1.00 PIK3CA (0.50) PIK3CAPIK3CBPIK3CGKMT2AMEN1
SCHEMBL25337886 0.90 PLK1 (0.52) PIK3CAPIK3CBPIK3CGKMT2AMEN1
SCHEMBL30554568 0.90 PLK1 (0.52) PIK3CAPIK3CBPIK3CGKMT2AMEN1
SCHEMBL30554593 0.86 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGKMT2AMEN1
SCHEMBL25340053 0.86 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGKMT2AMEN1
SCHEMBL25335900 0.83 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGKMT2AMEN1
SCHEMBL30554566 0.83 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGKMT2AMEN1
SCHEMBL25338135 0.82 MAPK8 (0.55) CDK2GSK3BCDK4ABL1BCR
SCHEMBL30554526 0.82 MAPK8 (0.55) CDK2GSK3BCDK4ABL1BCR
SCHEMBL25336527 0.81 PIK3CA (0.51) PIK3CAPIK3CBPIK3CGKMT2AMEN1

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 4 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
EP-4472953-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF Nexys Therapeutics, Inc. (US) 2024-12-11 EP disclosed
CN-118891251-A Aryl hydrocarbon receptor agonists and uses thereof 奈可萨斯医药有限公司 2024-11-01 CN 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 (1 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-20260022099-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, NR1H4, CNR1 PIK3CA 3736/4885PIK3CB 4402/4885PIK3CG 4268/4885

“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.