SCHEMBL756258

SCHEMBL756258

CC(=O)Nc1cc(-c2c(Nc3ccn(C(C)=O)n3)nc3ccc(-c4cncnc4)cn23)nc(C)n1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.65
PIK3CA P42336 10/20 0.65
PIK3CG P48736 2/20 0.41
ADORA2A P29274 6/20 0.36
ADORA1 P30542 5/20 0.36
CYP3A4 P08684 4/20 0.34
KCNH2 Q12809 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL2788163 0.86 MTOR (0.57) MTORPIK3CAPIK3CGADORA2AADORA1
SCHEMBL761701 0.80 MTOR (0.62) MTORPIK3CAPIK3CG
SCHEMBL2770611 0.76 MTOR (0.73) MTORPIK3CAPIK3CG
SCHEMBL751976 0.76 PIK3CA (0.71) MTORPIK3CAPIK3CGADORA2AADORA1
SCHEMBL11029859 0.76 MTOR (0.74) MTORPIK3CA
SCHEMBL11030188 0.75 MTOR (1.00) MTORPIK3CAADORA2AADORA1
SCHEMBL2787610 0.73 MTOR (1.00) MTORPIK3CAADORA2AADORA1CYP3A4
SCHEMBL753025 0.73 MTOR (0.50) MTORPIK3CAPIK3CGADORA2AADORA1
SCHEMBL2786709 0.73 MTOR (0.65) MTORPIK3CAADORA2A
SCHEMBL754088 0.71 MTOR (0.51) MTORPIK3CA

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 disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO 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 MTOR 21/4885PIK3CA 1/4885PIK3CG 7/4885

“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.