SCHEMBL1882908

SCHEMBL1882908

COc1nc(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)O)n3COCC[Si](C)(C)C)cc2)nc2ccc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3COCC[Si](C)(C)C)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.35
PIK3CD O00329 4/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
F11 P03951 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
GPR119 Q8TDV5 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KLKB1 P03952 1/20 0.32

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
SCHEMBL1890113 0.98 CHEK2 (0.36) CHEK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12661209 0.94 CHEK2 (0.34) CHEK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL933197 0.93 USP30 (0.32) CHEK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL933194 0.93 USP30 (0.32) CHEK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1044322 0.93 CHEK2 (0.35) CHEK2F11L3MBTL1GPR119MEN1
SCHEMBL1887080 0.90 CHEK2 (0.36) CHEK2F11L3MBTL1GPR119MEN1
SCHEMBL1890115 0.90 CHEK2 (0.32) CHEK2GPR119
SCHEMBL934276 0.90 CHEK2 (0.36) CHEK2F11L3MBTL1GPR119MEN1
SCHEMBL12661134 0.87 CHEK2 (0.38) CHEK2F11L3MBTL1GPR119MEN1
SCHEMBL933077 0.86 USP30 (0.32) CHEK2GPR119KMT2AJAK2JAK3

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-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS CHEK2 3724/4885PIK3CD 1645/4885PIK3CA 1476/4885

“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.