SCHEMBL30554522

SCHEMBL30554522

Nc1cc(Nc2nccc(-c3cccc(Cl)c3)n2)ccc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.65
CAMK2D Q13557 6/20 0.64
CDK4 P11802 4/20 0.63
CCND3 P30281 3/20 0.63
GSK3B P49841 3/20 0.63
PRKCA P17252 2/20 0.56
ABL1 P00519 2/20 0.56
BCR P11274 2/20 0.56
PRKCD Q05655 1/20 0.56
CSNK2A1 P68400 1/20 0.51
CDK2 P24941 4/20 0.49
CCNA2 P20248 3/20 0.49
CCNA1 P78396 3/20 0.49
PIM1 P11309 2/20 0.48
MTOR P42345 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CDK5 Q00535 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL25980185 1.00 PLK1 (0.65) PLK1CAMK2DCDK4CCND3GSK3B
SCHEMBL2956376 0.87 PLK1 (0.68) PLK1CAMK2DCDK4CCND3GSK3B
SCHEMBL25335754 0.84 SYK (0.61) PLK1CAMK2DGSK3BPRKCAABL1
SCHEMBL31119111 0.84 SYK (0.61) PLK1CAMK2DGSK3BPRKCAABL1
SCHEMBL2946515 0.83 PLK1 (0.77) PLK1CAMK2DCDK4CCND3GSK3B
SCHEMBL4732841 0.80 PLK1 (1.00) PLK1CAMK2DCDK4CCND3GSK3B
SCHEMBL30335652 0.80 PLK1 (0.60) PLK1CAMK2DCDK4CCND3GSK3B
SCHEMBL30554576 0.78 PLK1 (0.56) PLK1CAMK2DCDK4CCND3GSK3B
SCHEMBL30554577 0.78 PLK1 (0.56) PLK1CAMK2DCDK4CCND3GSK3B
SCHEMBL25981630 0.78 PLK1 (0.56) PLK1CAMK2DCDK4CCND3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (4 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 4810/4885CAMK2D 1708/4885CDK4 3495/4885
US-20240279185-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 PLK1 4810/4885CAMK2D 1708/4885CDK4 3495/4885
US-12168646-B2 Aryl hydrocarbon receptor agonists and uses thereof AHR, ARNT, NR1H2 PLK1 4810/4885CAMK2D 1708/4885CDK4 3495/4885
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 PLK1 4810/4885CAMK2D 1708/4885CDK4 3495/4885

“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.