SCHEMBL755704

SCHEMBL755704

COCCNC(=O)n1ccc(Nc2nc3cccnn3c2-c2cc(N)nc(C)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.53
MTOR P42345 15/20 0.53
PDE4B Q07343 3/20 0.34
PDE4D Q08499 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL11032216 0.91 MTOR (0.55) PIK3CAMTORPDE4BPDE4DPDE4A
SCHEMBL16161608 0.91 PIK3CA (0.55) PIK3CAMTORPDE4BPDE4DPDE4A
SCHEMBL11031064 0.87 MTOR (0.59) PIK3CAMTORPDE4BPDE4DPDE4A
SCHEMBL753941 0.85 MTOR (0.61) PIK3CAMTORPDE4BPDE4D
SCHEMBL2785390 0.85 MTOR (0.61) PIK3CAMTORPDE4BPDE4D
SCHEMBL2785665 0.85 MTOR (0.64) PIK3CAMTORPDE4BPDE4D
SCHEMBL11029048 0.85 MTOR (0.57) PIK3CAMTORPDE4BPDE4DPDE4A
SCHEMBL11030367 0.84 PIK3CA (0.53) PIK3CAMTORPDE4BPDE4DKDM4E
SCHEMBL751618 0.84 MTOR (0.58) PIK3CAMTORALDH1A1
SCHEMBL753226 0.83 MTOR (0.59) PIK3CAMTORPDE4BPDE4D

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 9 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-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
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 PIK3CA 1/4885MTOR 21/4885PDE4B 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.