SCHEMBL21889136

SCHEMBL21889136

CC1COCCN1c1nc(C(C)(C)C)cs1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
IRAK4 Q9NWZ3 1/20 0.39
ATR Q13535 5/20 0.38
PDE4D Q08499 2/20 0.38
MTOR P42345 5/20 0.37
PIK3CA P42336 5/20 0.37
PIK3CD O00329 1/20 0.37
PIK3C3 Q8NEB9 3/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PIK3R1 P27986 2/20 0.36
CHEK1 O14757 1/20 0.36
PDCD1 Q15116 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
OGA O60502 1/20 0.36

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
SCHEMBL24375495 0.84 IRAK4 (0.41) LMNAIRAK4ATRPDE4DMTOR
SCHEMBL24375533 0.80 MTOR (0.44) IRAK4ATRMTORPIK3CAPIK3CD
SCHEMBL28003505 0.78 ATR (0.46) IRAK4ATRPDE4DMTORPIK3CA
SCHEMBL13634271 0.78 IRAK4 (0.39) IRAK4ATRPDE4DMTORPIK3CA
SCHEMBL18674649 0.76 LMNA (1.00) LMNAOGA
SCHEMBL20594891 0.76 IRAK4 (0.51) IRAK4MTORPIK3CAPIK3C3OGA
SCHEMBL10278349 0.76 IRAK4 (0.51) IRAK4MTORPIK3CAPIK3C3OGA
SCHEMBL13162764 0.76 MTOR (0.41) IRAK4ATRPDE4DMTORPIK3C3
SCHEMBL20594858 0.73 IRAK4 (0.51) IRAK4MTORPIK3CA
SCHEMBL30629327 0.71 HRH4 (0.51) ATRMTORPIK3CAPIK3CDPIK3C3

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-20200115388-A1 IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-16 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-20200115388-A1 IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 LMNA 2525/4885IRAK4 1/4885ATR 993/4885

“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.