SCHEMBL764269

SCHEMBL764269

Cc1nc(N)cc(-c2c(Nc3ccc(NC(=O)N4CCO[C@H](C)C4)cc3)nc3cccnn23)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.50
PIK3CA P42336 13/20 0.50
PDE4B Q07343 6/20 0.34
PDE4D Q08499 6/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PDE4A P27815 3/20 0.33
PDE4C Q08493 3/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 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
SCHEMBL2772531 0.90 PIK3CA (0.52) MTORPIK3CAPDE4BPDE4DPIK3CD
SCHEMBL751462 0.89 PIK3CA (0.54) MTORPIK3CA
SCHEMBL753491 0.87 PIK3CA (0.49) MTORPIK3CA
SCHEMBL751744 0.86 PIK3CA (0.57) MTORPIK3CAPDE4BPDE4DPDE4A
SCHEMBL751191 0.86 PIK3CA (0.57) MTORPIK3CAPDE4BPDE4DPDE4A
SCHEMBL753756 0.86 PIK3CA (0.56) MTORPIK3CAPDE4BPDE4DPDE4A
SCHEMBL753798 0.85 PIK3CA (0.55) MTORPIK3CAPDE4BPDE4DPIK3CD
SCHEMBL754291 0.85 PIK3CA (0.55) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2788052 0.83 PIK3CA (0.50) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2787401 0.82 PIK3CA (0.52) MTORPIK3CAHDAC3HDAC1HDAC2

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 MTOR 21/4885PIK3CA 1/4885PDE4B 2280/4885

“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.