SCHEMBL2789604

SCHEMBL2789604

Cc1nc(N)nc(-c2c(Nc3ccnn3C(=O)Nc3cccnc3)nc3ccccn23)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.56
MTOR P42345 18/20 0.56
PIK3CB P42338 1/20 0.51

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
SCHEMBL752790 0.93 PIK3CA (0.55) PIK3CAMTORPIK3CB
SCHEMBL2788819 0.86 PIK3CA (0.58) PIK3CAMTORPIK3CB
SCHEMBL16161606 0.84 PIK3CA (0.60) PIK3CAMTORPIK3CB
SCHEMBL11029127 0.83 PIK3CA (0.58) PIK3CAMTORPIK3CB
SCHEMBL11026460 0.83 PIK3CA (0.54) PIK3CAMTORPIK3CB
SCHEMBL11027070 0.79 PIK3CA (0.53) PIK3CAMTORPIK3CB
SCHEMBL11031765 0.78 PIK3CA (0.56) PIK3CAMTORPIK3CB
SCHEMBL756542 0.75 PIK3CA (0.54) PIK3CAMTORPIK3CB
SCHEMBL2788394 0.74 PIK3CA (0.58) PIK3CAMTORPIK3CB
SCHEMBL16161701 0.73 PIK3CA (0.60) PIK3CAMTORPIK3CB

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
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
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.