SCHEMBL9897763

SCHEMBL9897763

COc1cnc(NC(=O)OC(C)(C)C)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.39
LCK P06239 4/20 0.38
MAPKAPK2 P49137 4/20 0.37
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
SYK P43405 1/20 0.35
DGAT1 O75907 1/20 0.35
NNMT P40261 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
SCHEMBL20839014 0.85 LCK (0.43) ATRLCKMAPKAPK2STK17BSTK17A
SCHEMBL32681564 0.84 SYK (0.39) ATRMAPKAPK2STK17BSTK17ANPSR1
SCHEMBL20843701 0.76 ATR (0.37) ATRLCKMAPKAPK2GSK3BDYRK1A
SCHEMBL3956108 0.75 ATR (0.43) ATRLCKNPSR1
SCHEMBL32681571 0.75 SIRT6 (0.42) ATRMAPKAPK2MEN1PABPC1KMT2A
SCHEMBL2885204 0.74 MAPKAPK2 (0.41) ATRLCKMAPKAPK2STK17BSTK17A
SCHEMBL28458230 0.74 ATR (0.40) ATRSTK17BSTK17AMEN1KMT2A
SCHEMBL7462692 0.72 ATR (0.42) ATRLCKMAPKAPK2STK17BSTK17A
SCHEMBL31418600 0.72 LCK (0.41) LCK
SCHEMBL7416577 0.72 LCK (0.45) ATRLCKMAPKAPK2GSK3BDYRK1A

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-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 ATR 3534/4885LCK 2116/4885MAPKAPK2 3004/4885

“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.