SCHEMBL754608

SCHEMBL754608

Cc1nc(Nc2ncccn2)cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.55
MTOR P42345 17/20 0.55
SHMT2 P34897 1/20 0.35
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL2773798 0.93 PIK3CA (0.61) PIK3CAMTORSHMT2PDE4APDE4B
SCHEMBL2772495 0.91 PIK3CA (0.57) PIK3CAMTORSHMT2MAPK13MAPK12
SCHEMBL2771543 0.89 PIK3CA (0.69) PIK3CAMTORSHMT2PDE4APDE4B
SCHEMBL756343 0.89 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL2776327 0.88 PIK3CA (0.71) PIK3CAMTORSHMT2
SCHEMBL11024686 0.87 PIK3CA (0.72) PIK3CAMTORSHMT2MAPK13MAPK12
SCHEMBL750787 0.87 PIK3CA (0.56) PIK3CAMTORSHMT2
SCHEMBL11026841 0.86 PIK3CA (0.51) PIK3CAMTORSHMT2
SCHEMBL2788748 0.86 PIK3CA (0.54) PIK3CAMTORSHMT2PDE4BPDE4D
SCHEMBL2772795 0.86 PIK3CA (0.72) PIK3CAMTOR

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 21/4885SHMT2 3199/4885

“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.