SCHEMBL23501995

SCHEMBL23501995

CCn1cc(C(F)(F)F)nc1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 5/20 0.39
AKT1 P31749 5/20 0.39
PRKCB P05771 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
TLR8 Q9NR97 2/20 0.38
USP1 O94782 3/20 0.34
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.32
DGAT1 O75907 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
KHK P50053 2/20 0.31

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
SCHEMBL20371546 0.93 RPS6KB1 (0.38) RPS6KB1AKT1PRKCBRPS6KA1USP1
SCHEMBL14487641 0.81 KHK (0.40) RPS6KB1AKT1PRKCBRPS6KA1TLR8
SCHEMBL15730371 0.80 TLR8 (0.39) RPS6KB1AKT1PRKCBRPS6KA1TLR8
SCHEMBL15708454 0.80 POLB (0.38) RPS6KB1AKT1PRKCBRPS6KA1TLR8
SCHEMBL14487422 0.78 HDAC6 (0.37) RPS6KB1AKT1PRKCBRPS6KA1TLR8
SCHEMBL15723638 0.76 TLR8 (0.37) RPS6KB1AKT1PRKCBRPS6KA1TLR8
SCHEMBL14555675 0.74 EPHX2 (0.38) RPS6KB1AKT1PRKCBRPS6KA1GAA
SCHEMBL14555677 0.73 L3MBTL1 (0.37) RPS6KB1AKT1PRKCBRPS6KA1GAA
SCHEMBL15730562 0.73 RPS6KB1 (0.34) RPS6KB1AKT1PRKCBRPS6KA1TLR8
SCHEMBL1665141 0.71 RPS6KB1 (0.52) RPS6KB1AKT1PRKCBRPS6KA1

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 RPS6KB1 1003/4885AKT1 1221/4885PRKCB 4266/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RPS6KB1 1003/4885AKT1 1221/4885PRKCB 4266/4885

“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.