SCHEMBL755064

SCHEMBL755064

CCC(=O)Nc1cccc(Nc2nc3cccnn3c2-c2cc(N)nc(C)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.58
MTOR P42345 11/20 0.58
PIK3CD O00329 2/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
EGFR P00533 2/20 0.43
JAK3 P52333 1/20 0.43
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
NR4A1 P22736 1/20 0.38
BTK Q06187 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL750572 0.90 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL11029646 0.85 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL11029462 0.84 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL750926 0.84 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL749920 0.83 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL752803 0.83 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL753051 0.81 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2774275 0.81 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL749558 0.81 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2770778 0.80 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD PIK3CA 1/4885MTOR 21/4885PIK3CD 3/4885

“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.