SCHEMBL23501969

SCHEMBL23501969

CNc1ccc(-c2cccnc2C(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.42
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HCAR3 P49019 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
NNMT P40261 1/20 0.38
APP P05067 5/20 0.38
MAPT P10636 2/20 0.38
PDK2 Q15119 1/20 0.38
GPR55 Q9Y2T6 3/20 0.37
TYRO3 Q06418 1/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL15730883 0.81 MKNK1 (0.50) TDO2HCAR3PSEN1PSEN2APH1B
SCHEMBL18852471 0.80 HPGDS (0.42) TDO2PDK2
SCHEMBL15723953 0.78 FEN1 (0.43)
SCHEMBL15723942 0.76 PDK2 (0.39) PDK2
SCHEMBL15723896 0.75 CYP2A6 (0.48) TDO2
SCHEMBL26627849 0.75 USP7 (0.44) MAPTPDK2
SCHEMBL15723977 0.75 CYP2A6 (0.52) TDO2MAPT
SCHEMBL15723877 0.73 COMT (0.46) MAPTPDK2
SCHEMBL14555509 0.73 PTGS2 (0.45) MAPTPDK2
SCHEMBL15723882 0.73 MKNK1 (0.52) MAPT

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 TDO2 4611/4885TLR9 2208/4885TLR8 2579/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TDO2 4611/4885TLR9 2208/4885TLR8 2579/4885

“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.