SCHEMBL756452

SCHEMBL756452

Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3cc(OCCN4CCCC4)ccn23)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.42
MTOR P42345 15/20 0.42
PIK3CB P42338 3/20 0.41
KIT P10721 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CG P48736 2/20 0.36
INSR P06213 1/20 0.36
AXL P30530 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL2787446 0.87 PIK3CA (0.45) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL2787076 0.80 PIK3CA (0.48) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL752349 0.77 PIK3CA (0.65) PIK3CAMTORPIK3CB
SCHEMBL16161614 0.77 PIK3CA (0.46) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL752945 0.72 PIK3CA (0.41) PIK3CAMTORPIK3CB
SCHEMBL2772211 0.72 PIK3CA (0.39) PIK3CAMTORINSRAXL
SCHEMBL16161574 0.71 PIK3CA (0.38) PIK3CAMTORPIK3CB
SCHEMBL2790254 0.71 PIK3CA (0.58) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL2786575 0.70 PIK3CA (0.52) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL751532 0.70 PIK3CA (0.51) PIK3CAMTORPIK3CBPIK3CDPIK3CG

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 21/4885PIK3CB 8/4885

“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.