SCHEMBL16664254

SCHEMBL16664254

CC[Si](CC)(CC)c1cccc2nc([C@H](C)NC(=O)OC(C)(C)C)n(C)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
PIK3CD O00329 4/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CB P42338 3/20 0.38
PIK3CG P48736 3/20 0.38
KDM4E B2RXH2 3/20 0.36
PIK3R2 O00459 1/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CTSK P43235 2/20 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
SCHEMBL16630480 0.87 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL16630526 0.84 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL16630528 0.82 PIK3CD (0.42) HTTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19862015 0.81 PIK3CD (0.56) HTTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16663361 0.80 PIK3CD (0.45) HTTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11901139 0.74 HTT (0.41) HTTKDM4EMAPTATMALDH1A1
SCHEMBL16629027 0.73 PIK3R2 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL18056720 0.72 PIK3CD (0.53) PIK3CDPIK3CGPIK3R2
SCHEMBL30418978 0.72 PIK3CD (0.49) PIK3CDPIK3CGPIK3R2
SCHEMBL21179277 0.72 PIK3CD (0.48) PIK3CDPIK3CAPIK3CGPIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9359365-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 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 (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-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HTT 823/4885PIK3CD 2/4885PIK3CA 1/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HTT 823/4885PIK3CD 2/4885PIK3CA 1/4885

“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.