SCHEMBL27445382

SCHEMBL27445382

Cc1ccc(Nc2nccc(-c3cc(N)cc(Cl)c3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.56
PIK3CG P48736 3/20 0.56
CAMK2D Q13557 1/20 0.55
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CDK5 Q00535 1/20 0.53
KMT2A Q03164 1/20 0.53
CDK5R1 Q15078 1/20 0.53
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
IKBKB O14920 3/20 0.49
SCN9A Q15858 2/20 0.48
KCNH2 Q12809 1/20 0.48
SCN5A Q14524 1/20 0.48
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
CDK2 P24941 2/20 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
SCHEMBL30554560 0.84 PLK1 (0.53) PLK1PIK3CGCAMK2DMEN1NPC1
SCHEMBL25337250 0.84 PLK1 (0.53) PLK1PIK3CGCAMK2DMEN1NPC1
SCHEMBL12801113 0.82 PIK3CA (0.57) PLK1PIK3CGCAMK2DMEN1NPC1
SCHEMBL27446266 0.82 PLK1 (0.77) PLK1PIK3CGCAMK2DMEN1NPC1
SCHEMBL27445373 0.80 PIK3CG (0.58) PLK1PIK3CGCAMK2DMEN1NPC1
SCHEMBL12800906 0.80 JAK2 (0.74) CAMK2DCDK5CLK1DYRK1ACLK4
SCHEMBL27445357 0.79 PIK3CG (0.57) PLK1PIK3CGCAMK2DPIK3CAPIK3CB
SCHEMBL7470313 0.76 ABL1 (0.58) PIK3CGCAMK2DMEN1NPC1RAB9A
Ammonia Solution, Strong SCHEMBL3414338 0.75 EIF2AK2 (0.57) PLK1PIK3CGPIK3CAPIK3CBIKBKB
SCHEMBL30554620 0.74 PLK1 (0.59) PLK1PIK3CGPIK3CAPIK3CBIKBKB

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 PLK1 4810/4885PIK3CG 4501/4885CAMK2D 1708/4885

“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.