SCHEMBL9949119

SCHEMBL9949119

CS(=O)(=O)Nc1ncncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
PIK3CB P42338 3/20 0.37
HSP90AA1 P07900 1/20 0.36
CYP17A1 P05093 4/20 0.36
HTT P42858 2/20 0.35
ALOX15 P16050 1/20 0.35
GLO1 Q04760 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CG P48736 2/20 0.34
PTK2 Q05397 4/20 0.34

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
SCHEMBL12256025 0.78 GLO1 (0.48) KEAP1HTTALOX15GLO1KDM4E
SCHEMBL9949116 0.77 MEN1 (0.33) KEAP1HTTALOX15GLO1PTK2
SCHEMBL25680865 0.74 PTGS1 (0.38) KEAP1PIK3CBHTTALOX15GLO1
SCHEMBL28493309 0.73 PTGS1 (0.39) KEAP1PIK3CBHTTALOX15GLO1
SCHEMBL18555412 0.73 EDNRA (0.44) KEAP1PIK3CBHTTALOX15GLO1
SCHEMBL28499045 0.73 EDNRA (0.44) KEAP1PIK3CBGLO1KDM4EPIK3CD
SCHEMBL28268009 0.71 HSP90AA1 (0.62) PIK3CBHSP90AA1CYP1A2CYP3A4KDM4E
SCHEMBL13977617 0.71 KEAP1 (0.40) KEAP1HTTALOX15GLO1KDM4E
SCHEMBL24743836 0.70 MAPK1 (0.40) CYP17A1HTTALOX15GLO1KDM4E
SCHEMBL5029231 0.70 HSP90AA1 (0.42) HSP90AA1

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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors MTOR, PIKFYVE, RICTOR KEAP1 1380/4885PIK3CB 7/4885HSP90AA1 1183/4885

“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.