SCHEMBL23501944

SCHEMBL23501944

CSC1CC12C(=O)Nc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
LMNA P02545 1/20 0.45
PLK4 O00444 7/20 0.42
AURKB Q96GD4 4/20 0.42
CYP2C19 P33261 1/20 0.42
FLT3 P36888 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
KCNH2 Q12809 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
BACE1 P56817 2/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL2573765 0.80 GSK3B (0.59) GSK3BPDK2PDK4LMNAPLK4
SCHEMBL30548926 0.80 GSK3B (0.59) GSK3BPDK2PDK4LMNAPLK4
SCHEMBL19216470 0.80 GSK3B (0.59) GSK3BPDK2PDK4LMNAPLK4
SCHEMBL4778699 0.76 GSK3B (0.55) GSK3BPDK2PDK4LMNAPLK4
SCHEMBL2555060 0.74 GSK3B (0.50) GSK3BPDK2PDK4LMNAPLK4
SCHEMBL20371453 0.74 GSK3B (0.50) GSK3BPDK2PDK4LMNAPLK4
SCHEMBL14555908 0.74 GSK3B (0.50) GSK3BPDK2PDK4LMNAPLK4
SCHEMBL31435686 0.72 GSK3B (0.51) GSK3BPDK2PDK4LMNAPLK4
SCHEMBL28459489 0.71 GSK3B (0.50) GSK3BPDK2PDK4LMNAPLK4
SCHEMBL14487926 0.71 GSK3B (0.50) GSK3BPDK2PDK4LMNAPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 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 (2 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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN GSK3B 1733/4885PDK2 3460/4885PDK4 2940/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GSK3B 1733/4885PDK2 3460/4885PDK4 2940/4885

“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.