SCHEMBL27445373

SCHEMBL27445373

Cc1ccc(Nc2nccc(-c3ccc(N)c(Cl)c3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.58
PIK3CA P42336 6/20 0.58
PIK3CB P42338 5/20 0.58
PLK1 P53350 2/20 0.53
CLK1 P49759 1/20 0.50
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CDK5 Q00535 1/20 0.50
KMT2A Q03164 1/20 0.50
CDK5R1 Q15078 1/20 0.50
IKBKB O14920 4/20 0.49
JAK2 O60674 1/20 0.49
CHUK O15111 1/20 0.49
CAMK2D Q13557 1/20 0.49
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL25338138 0.84 PIK3CA (0.55) PIK3CGPIK3CAPIK3CBPLK1CLK1
SCHEMBL31118851 0.84 PIK3CA (0.55) PIK3CGPIK3CAPIK3CBPLK1CLK1
SCHEMBL27445357 0.81 PIK3CG (0.57) PIK3CGPIK3CAPIK3CBPLK1IKBKB
SCHEMBL27445382 0.80 PLK1 (0.56) PIK3CGPIK3CAPIK3CBPLK1CLK1
SCHEMBL27446266 0.80 PLK1 (0.77) PIK3CGPIK3CAPLK1MEN1NPC1
SCHEMBL7470313 0.76 ABL1 (0.58) PIK3CGPIK3CAPIK3CBMEN1NPC1
SCHEMBL4735987 0.75 PIK3CA (0.68) PIK3CGPIK3CAPIK3CBPLK1CLK1
SCHEMBL27445456 0.75 PLK1 (0.57) PIK3CGPIK3CAPIK3CBPLK1RAB9A
SCHEMBL4784122 0.75 PIK3CA (0.64) PIK3CGPIK3CAPIK3CBPLK1CLK1
SCHEMBL16404646 0.74 CLK4 (0.81) CLK1DYRK1ACLK4DYRK1BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 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 (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-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 PIK3CG 4501/4885PIK3CA 4141/4885PIK3CB 4505/4885

“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.