SCHEMBL17130415

SCHEMBL17130415

Sc1ncnn2cccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.62
PIK3CA P42336 1/20 0.49
PDE10A Q9Y233 1/20 0.42
EGFR P00533 2/20 0.41
KDR P35968 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
AAK1 Q2M2I8 2/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
GLA P06280 1/20 0.33
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL58274 0.77 MAP4K4 (1.00) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL867042 0.77 MAP4K4 (0.60) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL25776743 0.77 MAP4K4 (0.60) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL864036 0.77 MAP4K4 (0.60) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL4818798 0.77 MAP4K4 (0.60) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL14044627 0.77 MAP4K4 (0.60) MAP4K4PIK3CAPDE10AEGFRKDR
Hydrochloric Acid SCHEMBL15019896 0.75 MAP4K4 (0.96) MAP4K4PIK3CAPDE10AEGFRKDR
Hydrochloric Acid SCHEMBL30590600 0.75 MAP4K4 (0.96) MAP4K4PIK3CAPDE10AEGFRKDR
Iodide SCHEMBL30111106 0.75 MAP4K4 (0.96) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL21855919 0.74 MAP4K4 (0.34) MAP4K4PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 US disclosed
US-20190185469-A1 4-AZAINDOLE COMPOUNDS SYNGENE INTERNATIONAL LIMITED (IN) 2019-06-20 US disclosed
WO-2015148746-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO 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-20190185469-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 MAP4K4 1738/4885PIK3CA 1054/4885PDE10A 815/4885
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS TLR1, TLR3, TLR9 MAP4K4 1329/4885PIK3CA 1208/4885PDE10A 1392/4885

“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.