SCHEMBL751976

SCHEMBL751976

CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cccc(S(C)(=O)=O)c4)cn23)nc(C)n1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.71
MTOR P42345 9/20 0.71
PIK3CD O00329 6/20 0.48
PIK3CG P48736 6/20 0.48
KCNH2 Q12809 1/20 0.38
FYN P06241 1/20 0.35
ADORA2A P29274 3/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA1 P30542 1/20 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
SCHEMBL754485 0.88 MTOR (0.54) PIK3CAMTORPIK3CDPIK3CGKCNH2
SCHEMBL11030188 0.83 MTOR (1.00) PIK3CAMTORADORA2AADORA1
SCHEMBL2787610 0.80 MTOR (1.00) PIK3CAMTORADORA2ACYP3A4ADORA1
SCHEMBL11029859 0.79 MTOR (0.74) PIK3CAMTOR
SCHEMBL2786709 0.78 MTOR (0.65) PIK3CAMTORADORA2A
SCHEMBL756258 0.76 MTOR (0.65) PIK3CAMTORPIK3CGKCNH2ADORA2A
SCHEMBL753664 0.75 MTOR (0.74) PIK3CAMTORADORA2ACYP3A4ADORA1
SCHEMBL16161627 0.75 MTOR (0.65) PIK3CAMTORADORA2ACYP3A4ADORA1
SCHEMBL13188530 0.74 PIK3CG (0.62) PIK3CAMTORPIK3CDPIK3CGKCNH2
SCHEMBL751893 0.74 MTOR (0.47) PIK3CAMTORKCNH2

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.