SCHEMBL13614701

SCHEMBL13614701

Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.81
MTOR P42345 2/20 0.81
PIK3CG P48736 2/20 0.81
PRKDC P78527 2/20 0.81
RICTOR Q6R327 2/20 0.81
RPTOR Q8N122 2/20 0.81
MAPKAP1 Q9BPZ7 2/20 0.81
MLST8 Q9BVC4 2/20 0.81
PIK3CB P42338 1/20 0.81
TNK2 Q07912 7/20 0.60
IGF1R P08069 10/20 0.58
RAF1 P04049 2/20 0.57
SRC P12931 2/20 0.57
PDPK1 O15530 1/20 0.57
ABL1 P00519 1/20 0.57
EGFR P00533 1/20 0.57
INSR P06213 1/20 0.57
KDR P35968 1/20 0.57
MAP2K1 Q02750 1/20 0.57
RIPK2 O43353 1/20 0.57

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
SCHEMBL6942524 1.00 PIK3CA (0.81) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL12922502 0.93 PIK3CA (0.76) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL6940157 0.93 PIK3CA (0.76) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL6943786 0.92 PIK3CA (0.76) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL594269 0.91 PIK3CA (0.72) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL13962745 0.90 PIK3CA (0.85) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL6940348 0.90 PIK3CA (0.74) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL6942914 0.90 PIK3CA (0.65) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL8076972 0.90 PIK3CA (1.00) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL13962729 0.90 PIK3CA (0.84) PIK3CAMTORPIK3CGPRKDCRICTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 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-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 PIK3CA 10/4885MTOR 1/4885PIK3CG 28/4885

“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.