SCHEMBL755161

SCHEMBL755161

CC(=O)Nc1cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)nc(C)n1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.71
PIK3CA P42336 16/20 0.71
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL11031019 0.90 PIK3CA (0.59) MTORPIK3CAPDE4BPDE4D
SCHEMBL11028669 0.90 MTOR (0.59) MTORPIK3CAPDE4BPDE4DMAPK13
SCHEMBL753661 0.89 PIK3CA (0.58) MTORPIK3CAADORA2AADORA1PDE4B
SCHEMBL2773798 0.89 PIK3CA (0.61) MTORPIK3CAPDE4BPDE4D
SCHEMBL2771543 0.88 PIK3CA (0.69) MTORPIK3CAPDE4BPDE4D
SCHEMBL753521 0.86 MTOR (0.57) MTORPIK3CAPDE4BPDE4D
SCHEMBL2790676 0.86 PIK3CA (0.54) MTORPIK3CAPDE4BPDE4D
SCHEMBL2787760 0.85 PIK3CA (0.54) MTORPIK3CAPDE4BPDE4D
SCHEMBL756343 0.85 PIK3CA (0.60) MTORPIK3CA
SCHEMBL754608 0.85 PIK3CA (0.55) MTORPIK3CAPDE4BPDE4DMAPK13

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 10 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
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US 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
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 1/4885ADORA2A 4122/4885

“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.